2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[3-(2-ketopyrrolidino)phenyl]nicotinamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N4O5S/c30-22(27-17-8-9-20-21(13-17)34-15-33-20)14-35-25-19(6-2-10-26-25)24(32)28-16-4-1-5-18(12-16)29-11-3-7-23(29)31/h1-2,4-6,8-10,12-13H,3,7,11,14-15H2,(H,27,30)(H,28,32)