1-(azepan-1-yl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone Openeye Name: 2-(2-allylsulfanylbenzimidazol-1-yl)-1-(azepan-1-yl)ethanone CAS Name: 1-(1-azepanyl)-2-[2-(prop-2-enylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)ethanone Traditional Name: 2-[2-(allylthio)benzimidazol-1-yl]-1-(azepan-1-yl)ethanone Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3OS/c1-2-13-23-18-19-15-9-5-6-10-16(15)21(18)14-17(22)20-11-7-3-4-8-12-20/h2,5-6,9-10H,1,3-4,7-8,11-14H2