N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-piperonyl-propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21NO3S/c1-13-3-5-16(9-14(13)2)24-8-7-19(21)20-11-15-4-6-17-18(10-15)23-12-22-17/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,21)