S-phenylazanyl 2-azanyl-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-methyl-4-oxidanylidene-butanethioate

Systemtic Name: S-phenylazanyl 2-azanyl-4-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-methyl-4-oxidanylidene-butanethioate Openeye Name: S-anilino 2-amino-4-(2-benzoyl-4-chloro-anilino)-2-methyl-4-oxo-butanethioate CAS Name: 2-amino-4-(2-benzoyl-4-chloroanilino)-2-methyl-4-oxobutanethioic acid S-anilino ester IUPAC Name: S-anilino 2-amino-4-(2-benzoyl-4-chloroanilino)-2-methyl-4-oxobutanethioate Traditional Name: 2-amino-4-(2-benzoyl-4-chloro-anilino)-4-keto-2-methyl-butanethioic acid S-anilino ester Formula: C24H22ClN3O3S MolecularWeight: 467.96778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)(C(=O)SNC3=CC=CC=C3)N

Isomeric SMILES

CC(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)(C(=O)SNC3=CC=CC=C3)N

InChI

InChI=1S/C24H22ClN3O3S/c1-24(26,23(31)32-28-18-10-6-3-7-11-18)15-21(29)27-20-13-12-17(25)14-19(20)22(30)16-8-4-2-5-9-16/h2-14,28H,15,26H2,1H3,(H,27,29)