1-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinoyl]isonipecotamide Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O5S/c22-19(27)13-5-8-25(9-6-13)21(28)15-2-1-7-23-20(15)31-11-18(26)24-14-3-4-16-17(10-14)30-12-29-16/h1-4,7,10,13H,5-6,8-9,11-12H2,(H2,22,27)(H,24,26)