2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[4-(cyanomethoxy)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[4-(cyanomethoxy)phenyl]nicotinamide Formula: C23H18N4O5S MolecularWeight: 462.47782

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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)NC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C23H18N4O5S/c24-9-11-30-17-6-3-15(4-7-17)27-22(29)18-2-1-10-25-23(18)33-13-21(28)26-16-5-8-19-20(12-16)32-14-31-19/h1-8,10,12H,11,13-14H2,(H,26,28)(H,27,29)