2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[(1-phenylcyclopentyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[(1-phenylcyclopentyl)methyl]nicotinamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(CNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4S/c31-24(30-20-10-11-22-23(15-20)34-18-33-22)16-35-26-21(9-6-14-28-26)25(32)29-17-27(12-4-5-13-27)19-7-2-1-3-8-19/h1-3,6-11,14-15H,4-5,12-13,16-18H2,(H,29,32)(H,30,31)