4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide

Systemtic Name: 4-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide Openeye Name: 4-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-(m-tolyl)butanamide CAS Name: 4-[(5-acetyl-2-methoxyphenyl)methylthio]-N-(3-methylphenyl)butanamide IUPAC Name: 4-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(3-methylphenyl)butanamide Traditional Name: 4-[(5-acetyl-2-methoxy-benzyl)thio]-N-(m-tolyl)butyramide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C21H25NO3S/c1-15-6-4-7-19(12-15)22-21(24)8-5-11-26-14-18-13-17(16(2)23)9-10-20(18)25-3/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,22,24)