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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-pyridylmethyl)nicotinamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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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)NCC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C21H18N4O4S/c26-19(25-14-6-7-17-18(10-14)29-13-28-17)12-30-21-16(5-3-9-23-21)20(27)24-11-15-4-1-2-8-22-15/h1-10H,11-13H2,(H,24,27)(H,25,26)