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

Systemtic Name: 4-[3-[(2-chlorophenyl)amino]-3-oxidanylidene-propyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Openeye Name: 4-[3-(2-chloroanilino)-3-oxo-propyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide CAS Name: 4-[[3-(2-chloroanilino)-3-oxopropyl]thio]-N-(2,6-dimethylphenyl)butanamide IUPAC Name: 4-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-N-(2,6-dimethylphenyl)butanamide Traditional Name: 4-[[3-(2-chloroanilino)-3-keto-propyl]thio]-N-(2,6-dimethylphenyl)butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCCSCCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCCSCCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-15-7-5-8-16(2)21(15)24-19(25)11-6-13-27-14-12-20(26)23-18-10-4-3-9-17(18)22/h3-5,7-10H,6,11-14H2,1-2H3,(H,23,26)(H,24,25)