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

Systemtic Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylphenyl)carbothioyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylbenzenecarbothioyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[(2-methylphenyl)-sulfanylidenemethyl]-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)sulfonyl-1-(2-methylbenzenecarbothioyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-(2-methylthiobenzoyl)-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxylic acid methyl ester Formula: C26H26N2O5S2 MolecularWeight: 510.62504

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O5S2/c1-18-8-4-6-10-22(18)25(34)27-17-24(26(29)33-3)28(16-19-9-5-7-11-23(19)27)35(30,31)21-14-12-20(32-2)13-15-21/h4-15,24H,16-17H2,1-3H3