N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanyl-butanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanyl-butanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(phenylthio)butanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide Traditional Name: 4-(phenylthio)-N-(5-piperonyl-1,3,4-oxadiazol-2-yl)butyramide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)NC(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NN=C(O3)NC(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C20H19N3O4S/c24-18(7-4-10-28-15-5-2-1-3-6-15)21-20-23-22-19(27-20)12-14-8-9-16-17(11-14)26-13-25-16/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,21,23,24)