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

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

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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)NCCCN4C=NC5=CC=CC=C54

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NCCCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H23N5O4S/c31-23(29-17-8-9-21-22(13-17)34-16-33-21)14-35-25-18(5-3-10-27-25)24(32)26-11-4-12-30-15-28-19-6-1-2-7-20(19)30/h1-3,5-10,13,15H,4,11-12,14,16H2,(H,26,32)(H,29,31)