3-(1-ethylbenzimidazol-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylazepan-2-one Openeye Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylazepan-2-one CAS Name: 3-[(1-ethyl-2-benzimidazolyl)thio]-2-azepanone IUPAC Name: 3-(1-ethylbenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-ethylbenzimidazol-2-yl)thio]azepan-2-one Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC3CCCCNC3=O

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SC3CCCCNC3=O

InChI

InChI=1S/C15H19N3OS/c1-2-18-12-8-4-3-7-11(12)17-15(18)20-13-9-5-6-10-16-14(13)19/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,16,19)