2-[4-(thian-4-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxamide

Systemtic Name: 2-[4-(thian-4-ylcarbonyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(tetrahydrothiopyran-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-[oxo(4-thianyl)methyl]phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(thiane-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(tetrahydrothiopyran-4-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1C(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N

Isomeric SMILES

C1CSCCC1C(=O)C2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N

InChI

InChI=1S/C20H19N3O2S/c21-19(25)15-5-6-16-17(11-15)23-20(22-16)14-3-1-12(2-4-14)18(24)13-7-9-26-10-8-13/h1-6,11,13H,7-10H2,(H2,21,25)(H,22,23)