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

Systemtic Name: methyl 3-[(3-methoxyphenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanyl-benzoate Openeye Name: methyl 3-[(3-methoxyphenyl)carbamothioylamino]-4-(p-tolylsulfanyl)benzoate CAS Name: 3-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-4-[(4-methylphenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-methoxyphenyl)carbamothioylamino]-4-(4-methylphenyl)sulfanylbenzoate Traditional Name: 3-[(3-methoxyphenyl)thiocarbamoylamino]-4-(p-tolylthio)benzoic acid methyl ester Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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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(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S2/c1-15-7-10-19(11-8-15)30-21-12-9-16(22(26)28-3)13-20(21)25-23(29)24-17-5-4-6-18(14-17)27-2/h4-14H,1-3H3,(H2,24,25,29)