[2-[(3-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate

Systemtic Name: [2-[(3-chloranyl-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbamothioylamino)benzoate Openeye Name: [2-(3-chloro-5-methyl-anilino)-2-oxo-ethyl] 4-(phenylcarbamothioylamino)benzoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]benzoic acid [2-(3-chloro-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-5-methylanilino)-2-oxoethyl] 4-(phenylcarbamothioylamino)benzoate Traditional Name: 4-(phenylthiocarbamoylamino)benzoic acid [2-(3-chloro-5-methyl-anilino)-2-keto-ethyl] ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O3S/c1-15-11-17(24)13-20(12-15)25-21(28)14-30-22(29)16-7-9-19(10-8-16)27-23(31)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,28)(H2,26,27,31)