N-[1-azanyl-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[1-azanyl-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(p-tolylsulfanylmethyl)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-[1-amino-3-[(4-methylphenyl)thio]-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[1-amino-3-(4-methylphenyl)sulfanyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-[2-amino-2-keto-1-[(p-tolylthio)methyl]ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C(=O)N)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5O2S/c1-14-2-5-17(6-3-14)31-13-20(21(24)29)28-23(30)16-4-7-18-19(12-16)27-22(26-18)15-8-10-25-11-9-15/h2-12,20H,13H2,1H3,(H2,24,29)(H,26,27)(H,28,30)