methyl 3-[(4-chloranyl-3-methyl-phenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanyl-benzoate

Systemtic Name: methyl 3-[(4-chloranyl-3-methyl-phenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(4-chloro-3-methyl-phenyl)carbamothioylamino]-4-(p-tolylsulfanyl)benzoate CAS Name: 3-[[(4-chloro-3-methylanilino)-sulfanylidenemethyl]amino]-4-[(4-methylphenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-methylphenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanylbenzoate Traditional Name: 3-[(4-chloro-3-methyl-phenyl)thiocarbamoylamino]-4-(p-tolylthio)benzoic acid methyl ester Formula: C23H21ClN2O2S2 MolecularWeight: 457.00804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC)NC(=S)NC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC)NC(=S)NC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C23H21ClN2O2S2/c1-14-4-8-18(9-5-14)30-21-11-6-16(22(27)28-3)13-20(21)26-23(29)25-17-7-10-19(24)15(2)12-17/h4-13H,1-3H3,(H2,25,26,29)