4-(4-methoxyphenyl)sulfonyl-1-(2-methylphenyl)carbothioyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid

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

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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)OC)C(=O)O

Isomeric SMILES

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

InChI

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