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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[(1-methyl-2-benzimidazolyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[(1-methylbenzimidazol-2-yl)methyl]nicotinamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N5O4S/c1-29-18-7-3-2-6-17(18)28-21(29)12-26-23(31)16-5-4-10-25-24(16)34-13-22(30)27-15-8-9-19-20(11-15)33-14-32-19/h2-11H,12-14H2,1H3,(H,26,31)(H,27,30)