42076-12-0
ETHYL 2-[(ANILINOCARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
NameETHYL 2-[(ANILINOCARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 2-[(ANILINOCARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00128359
【English Synonyms】
【Formula】
C18 H20 N2 O2 S2
【MolWeight】
360.5
【Inchi】
InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
【InChIKey】
InChIKey=LLGKQAVFOOLYNJ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(sc1NC(=S)Nc3ccccc3)CCCC2
【MOL File】
ETHYL 2-[(ANILINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(ANILINOCARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE.cml