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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(3-nitrophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(3-nitrophenyl)nicotinamide Formula: C21H16N4O6S MolecularWeight: 452.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S/c26-19(23-14-6-7-17-18(10-14)31-12-30-17)11-32-21-16(5-2-8-22-21)20(27)24-13-3-1-4-15(9-13)25(28)29/h1-10H,11-12H2,(H,23,26)(H,24,27)