2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloranyl-4-methyl-phenyl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-methyl-phenyl)butanamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[3-(1-oxobutylamino)phenyl]thio]butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-methylphenyl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-(3-chloro-4-methyl-phenyl)butyramide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)C)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=CC(=C(C=C2)C)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-4-7-20(25)23-15-8-6-9-17(12-15)27-19(5-2)21(26)24-16-11-10-14(3)18(22)13-16/h6,8-13,19H,4-5,7H2,1-3H3,(H,23,25)(H,24,26)