4-(2-azanylethylsulfanyl)-N-(3-methylphenyl)butanamide

Systemtic Name: 4-(2-azanylethylsulfanyl)-N-(3-methylphenyl)butanamide Openeye Name: 4-(2-aminoethylsulfanyl)-N-(m-tolyl)butanamide CAS Name: 4-(2-aminoethylthio)-N-(3-methylphenyl)butanamide IUPAC Name: 4-(2-aminoethylsulfanyl)-N-(3-methylphenyl)butanamide Traditional Name: 4-(2-aminoethylthio)-N-(m-tolyl)butyramide Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCCN

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCCN

InChI

InChI=1S/C13H20N2OS/c1-11-4-2-5-12(10-11)15-13(16)6-3-8-17-9-7-14/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16)