[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3S/c1-16-12-17(2)14-21(13-16)25-22(28)15-30-23(29)18-8-10-20(11-9-18)27-24(31)26-19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,25,28)(H2,26,27,31)