4-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)butanamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)butanamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(m-tolyl)butanamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-N-(3-methylphenyl)butanamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-(3-methylphenyl)butanamide Traditional Name: N-(m-tolyl)-4-(piperonylthio)butyramide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H21NO3S/c1-14-4-2-5-16(10-14)20-19(21)6-3-9-24-12-15-7-8-17-18(11-15)23-13-22-17/h2,4-5,7-8,10-11H,3,6,9,12-13H2,1H3,(H,20,21)