N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylsulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylsulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylsulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopentylthio)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentylsulfanylpropanamide Traditional Name: 2-(cyclopentylthio)-N-piperonyl-propionamide Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3CCCC3

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3CCCC3

InChI

InChI=1S/C16H21NO3S/c1-11(21-13-4-2-3-5-13)16(18)17-9-12-6-7-14-15(8-12)20-10-19-14/h6-8,11,13H,2-5,9-10H2,1H3,(H,17,18)