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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(1H-indol-3-yl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[2-(1H-indol-3-yl)ethyl]nicotinamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H22N4O4S/c30-23(29-17-7-8-21-22(12-17)33-15-32-21)14-34-25-19(5-3-10-27-25)24(31)26-11-9-16-13-28-20-6-2-1-4-18(16)20/h1-8,10,12-13,28H,9,11,14-15H2,(H,26,31)(H,29,30)