4-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide

Systemtic Name: 4-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H23N3O2S/c1-15-6-3-7-16(2)21(15)24-19(25)10-5-11-27-14-20(26)23-18-9-4-8-17(12-18)13-22/h3-4,6-9,12H,5,10-11,14H2,1-2H3,(H,23,26)(H,24,25)