N-aminocarbonyl-N-(2-methylsulfanylethyl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-aminocarbonyl-N-(2-methylsulfanylethyl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Openeye Name: N-carbamoyl-N-(2-methylsulfanylethyl)-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide CAS Name: N-carbamoyl-N-[2-(methylthio)ethyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide IUPAC Name: N-carbamoyl-N-(2-methylsulfanylethyl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide Traditional Name: N-carbamoyl-N-[2-(methylthio)ethyl]-2-(4-pyridyl)-3H-benzimidazole-5-carboxamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN(C(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3)C(=O)N

Isomeric SMILES

CSCCN(C(=O)C1=CC2=C(C=C1)N=C(N2)C3=CC=NC=C3)C(=O)N

InChI

InChI=1S/C17H17N5O2S/c1-25-9-8-22(17(18)24)16(23)12-2-3-13-14(10-12)21-15(20-13)11-4-6-19-7-5-11/h2-7,10H,8-9H2,1H3,(H2,18,24)(H,20,21)