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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O4S/c1-16(28)17-7-11-20(12-8-17)25-22(29)15-31-23(30)18-9-13-21(14-10-18)27-24(32)26-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,25,29)(H2,26,27,32)