N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: 2-[(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)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-12-4-6-16(8-13(12)2)24-14(3)19(21)20-10-15-5-7-17-18(9-15)23-11-22-17/h4-9,14H,10-11H2,1-3H3,(H,20,21)