3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C18H22N4OS/c1-14-7-4-5-11-21(14)17(23)13-24-18-20-15-8-2-3-9-16(15)22(18)12-6-10-19/h2-3,8-9,14H,4-7,11-13H2,1H3/t14-/m0/s1