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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzyltetrazol-5-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-benzyltetrazol-5-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(1-benzyltetrazol-5-yl)thio]-N-piperonyl-propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=NN3CC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O3S/c1-13(18(25)20-10-15-7-8-16-17(9-15)27-12-26-16)28-19-21-22-23-24(19)11-14-5-3-2-4-6-14/h2-9,13H,10-12H2,1H3,(H,20,25)/t13-/m1/s1