N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-cyclopentyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide Traditional Name: 2-[(1-cyclopentyltetrazol-5-yl)thio]-N-piperonyl-propionamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4CCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3C4CCCC4

InChI

InChI=1S/C17H21N5O3S/c1-11(26-17-19-20-21-22(17)13-4-2-3-5-13)16(23)18-9-12-6-7-14-15(8-12)25-10-24-14/h6-8,11,13H,2-5,9-10H2,1H3,(H,18,23)