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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinamide Formula: C30H25N5O4S MolecularWeight: 551.6156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC(CC4=CC=CC=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C30H25N5O4S/c36-27(32-20-12-13-25-26(16-20)39-18-38-25)17-40-30-21(9-6-14-31-30)29(37)35-24(15-19-7-2-1-3-8-19)28-33-22-10-4-5-11-23(22)34-28/h1-14,16,24H,15,17-18H2,(H,32,36)(H,33,34)(H,35,37)