3-[2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C19H24N4OS/c1-15(18(24)22-12-6-2-3-7-13-22)25-19-21-16-9-4-5-10-17(16)23(19)14-8-11-20/h4-5,9-10,15H,2-3,6-8,12-14H2,1H3/t15-/m0/s1