590400-24-1
3-CHLORO-N-[[[4-[[(2,4-DIMETHYLPHENYL)AMINO]SULFONYL]PHENYL]AMINO]THIOXOMETHYL]-6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[[[4-[[(2,4-DIMETHYLPHENYL)AMINO]SULFONYL]PHENYL]AMINO]THIOXOMETHYL]-6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C25 H22 Cl N3 O4 S3
MolWeight
560.117
1Identification
【Name】
3-CHLORO-N-[[[4-[[(2,4-DIMETHYLPHENYL)AMINO]SULFONYL]PHENYL]AMINO]THIOXOMETHYL]-6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03590222
【English Synonyms】
【Formula】
C25 H22 Cl N3 O4 S3
【MolWeight】
560.117
【Inchi】
InChI=1S/C25H22ClN3O4S3/c1-14-4-11-20(15(2)12-14)29-36(31,32)18-8-5-16(6-9-18)27-25(34)28-24(30)23-22(26)19-10-7-17(33-3)13-21(19)35-23/h4-13,29H,1-3H3,(H2,27,28,30,34)
【InChIKey】
InChIKey=GVHCMOWPVNQKFL-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C)NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)c3c(c4ccc(cc4s3)OC)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-N-[[[4-[[(2,4-DIMETHYLPHENYL)AMINO]SULFONYL]PHENYL]AMINO]THIOXOMETHYL]-6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXAMIDE.cml
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