N-[1-[cyano(methyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[cyano(methyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(benzylsulfanylmethyl)-2-[cyano(methyl)amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[cyano(methyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-benzylsulfanyl-1-[cyano(methyl)amino]-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[(benzylthio)methyl]-2-[cyano(methyl)amino]-2-keto-ethyl]-piperonylamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CN(C#N)C(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C#N)C(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H19N3O4S/c1-23(12-21)20(25)16(11-28-10-14-5-3-2-4-6-14)22-19(24)15-7-8-17-18(9-15)27-13-26-17/h2-9,16H,10-11,13H2,1H3,(H,22,24)