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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(2-methyl-1-benzimidazolyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]nicotinamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCNC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N5O4S/c1-16-28-19-6-2-3-7-20(19)30(16)12-11-26-24(32)18-5-4-10-27-25(18)35-14-23(31)29-17-8-9-21-22(13-17)34-15-33-21/h2-10,13H,11-12,14-15H2,1H3,(H,26,32)(H,29,31)