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

Systemtic Name: 2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxamide Openeye Name: 2-[4-(tetrahydrothiopyran-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxamide CAS Name: 2-[4-(4-thianylmethyl)phenyl]-3H-benzimidazole-5-carboxamide IUPAC Name: 2-[4-(thian-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxamide Traditional Name: 2-[4-(tetrahydrothiopyran-4-ylmethyl)phenyl]-3H-benzimidazole-5-carboxamide Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1CC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N

Isomeric SMILES

C1CSCCC1CC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)N

InChI

InChI=1S/C20H21N3OS/c21-19(24)16-5-6-17-18(12-16)23-20(22-17)15-3-1-13(2-4-15)11-14-7-9-25-10-8-14/h1-6,12,14H,7-11H2,(H2,21,24)(H,22,23)