(2S)-3-[(2-chlorophenyl)amino]-2-cyano-N-(2,4-dimethylphenyl)-3-sulfanylidene-propanamide

Systemtic Name: (2S)-3-[(2-chlorophenyl)amino]-2-cyano-N-(2,4-dimethylphenyl)-3-sulfanylidene-propanamide Openeye Name: (2S)-3-(2-chloroanilino)-2-cyano-N-(2,4-dimethylphenyl)-3-thioxo-propanamide CAS Name: (2S)-3-(2-chloroanilino)-2-cyano-N-(2,4-dimethylphenyl)-3-sulfanylidenepropanamide IUPAC Name: (2S)-3-(2-chloroanilino)-2-cyano-N-(2,4-dimethylphenyl)-3-sulfanylidenepropanamide Traditional Name: (2S)-3-(2-chloroanilino)-2-cyano-N-(2,4-dimethylphenyl)-3-thioxo-propionamide Formula: C18H16ClN3OS MolecularWeight: 357.85714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C#N)C(=S)NC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C#N)C(=S)NC2=CC=CC=C2Cl)C

InChI

InChI=1S/C18H16ClN3OS/c1-11-7-8-15(12(2)9-11)21-17(23)13(10-20)18(24)22-16-6-4-3-5-14(16)19/h3-9,13H,1-2H3,(H,21,23)(H,22,24)/t13-/m0/s1