1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-[[(2S)-thiiran-2-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3-[[(2S)-thiiran-2-yl]methyl]benzimidazol-2-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-3-[[(2S)-thiiran-2-yl]methyl]benzimidazol-2-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-3-[[(2S)-2-thiiranyl]methyl]-2-benzimidazolone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-3-[[(2S)-thiiran-2-yl]methyl]benzimidazol-2-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-3-[[(2S)-thiiran-2-yl]methyl]benzimidazol-2-one Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)CC4CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N(C2=O)C[C@H]4CS4

InChI

InChI=1S/C18H23N3O2S/c22-17(19-9-5-1-2-6-10-19)12-21-16-8-4-3-7-15(16)20(18(21)23)11-14-13-24-14/h3-4,7-8,14H,1-2,5-6,9-13H2/t14-/m0/s1