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

Systemtic Name: methyl 3-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-(p-tolylsulfanyl)benzoate CAS Name: 3-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-[(4-methylphenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanylbenzoate Traditional Name: 3-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-(p-tolylthio)benzoic acid methyl ester Formula: C23H21ClN2O3S2 MolecularWeight: 473.00744

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3S2/c1-14-4-8-17(9-5-14)31-21-11-6-15(22(27)29-3)12-19(21)26-23(30)25-16-7-10-20(28-2)18(24)13-16/h4-13H,1-3H3,(H2,25,26,30)