N-[1-(3-imidazol-1-ylpropylamino)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-(3-imidazol-1-ylpropylamino)-1-oxidanylidene-3-phenylsulfanyl-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-(3-imidazol-1-ylpropylamino)-2-oxo-1-(phenylsulfanylmethyl)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-[3-(1-imidazolyl)propylamino]-1-oxo-3-(phenylthio)propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-(3-imidazol-1-ylpropylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-(3-imidazol-1-ylpropylamino)-2-keto-1-[(phenylthio)methyl]ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C28H27N7O2S MolecularWeight: 525.62468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)SCC(C(=O)NCCCN2C=CN=C2)NC(=O)C3=CC4=C(C=C3)N=C(N4)C5=CC=NC=C5

InChI

InChI=1S/C28H27N7O2S/c36-27(21-7-8-23-24(17-21)33-26(32-23)20-9-12-29-13-10-20)34-25(18-38-22-5-2-1-3-6-22)28(37)31-11-4-15-35-16-14-30-19-35/h1-3,5-10,12-14,16-17,19,25H,4,11,15,18H2,(H,31,37)(H,32,33)(H,34,36)