N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidinyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-4-piperidyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)nicotinamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)CC(=O)N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=C(N=CC=C2)SC3=CC4=C(C=C3)OCCO4)CC(=O)N

InChI

InChI=1S/C21H24N4O4S/c22-19(26)13-25-8-5-14(6-9-25)24-20(27)16-2-1-7-23-21(16)30-15-3-4-17-18(12-15)29-11-10-28-17/h1-4,7,12,14H,5-6,8-11,13H2,(H2,22,26)(H,24,27)