N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanyl-benzamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-isopropylsulfanyl-benzamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-(propan-2-ylthio)benzamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide Traditional Name: 3-(isopropylthio)-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)benzamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)NC2=NN=C(O2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-12(2)28-15-5-3-4-14(10-15)19(24)21-20-23-22-18(27-20)9-13-6-7-16-17(8-13)26-11-25-16/h3-8,10,12H,9,11H2,1-2H3,(H,21,23,24)