[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-16-7-11-19(12-8-16)24-21(27)15-29-22(28)17-9-13-20(14-10-17)26-23(30)25-18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,27)(H2,25,26,30)