590400-08-1
3-CHLORO-N-[[[4-(4-MORPHOLINYLSULFONYL)PHENYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Name
3-CHLORO-N-[[[4-(4-MORPHOLINYLSULFONYL)PHENYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
Formula
C20 H18 Cl N3 O4 S3
MolWeight
496.03
1Identification
【Name】
3-CHLORO-N-[[[4-(4-MORPHOLINYLSULFONYL)PHENYL]AMINO]THIOXOMETHYL]-BENZO[B]THIOPHENE-2-CARBOXAMIDE
【CAS】
【MDL】
MFCD03587584
【English Synonyms】
【Formula】
C20 H18 Cl N3 O4 S3
【MolWeight】
496.03
【Inchi】
InChI=1S/C20H18ClN3O4S3/c21-17-15-3-1-2-4-16(15)30-18(17)19(25)23-20(29)22-13-5-7-14(8-6-13)31(26,27)24-9-11-28-12-10-24/h1-8H,9-12H2,(H2,22,23,25,29)
【InChIKey】
InChIKey=OQRHMGOSTWQLLQ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(c(s2)C(=O)NC(=S)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F