methyl 4-(4-hydroxyphenyl)sulfonyl-1-(2-methylphenyl)carbothioyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(2-methylphenyl)carbothioyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(2-methylbenzenecarbothioyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)sulfonyl-1-[(2-methylphenyl)-sulfanylidenemethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-hydroxyphenyl)sulfonyl-1-(2-methylbenzenecarbothioyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)sulfonyl-1-(2-methylthiobenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C25H24N2O5S2 MolecularWeight: 496.59846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=S)N2CC(N(CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C25H24N2O5S2/c1-17-7-3-5-9-21(17)24(33)26-16-23(25(29)32-2)27(15-18-8-4-6-10-22(18)26)34(30,31)20-13-11-19(28)12-14-20/h3-14,23,28H,15-16H2,1-2H3