5-(azepan-1-yl)-1,3-dihydrobenzimidazole-2-thione

Systemtic Name: 5-(azepan-1-yl)-1,3-dihydrobenzimidazole-2-thione Openeye Name: 5-(azepan-1-yl)-1,3-dihydrobenzimidazole-2-thione CAS Name: 5-(1-azepanyl)-1,3-dihydrobenzimidazole-2-thione IUPAC Name: 5-(azepan-1-yl)-1,3-dihydrobenzimidazole-2-thione Traditional Name: 5-(azepan-1-yl)-1,3-dihydrobenzimidazole-2-thione Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC3=C(C=C2)NC(=S)N3

Isomeric SMILES

C1CCCN(CC1)C2=CC3=C(C=C2)NC(=S)N3

InChI

InChI=1S/C13H17N3S/c17-13-14-11-6-5-10(9-12(11)15-13)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2,(H2,14,15,17)