(2R)-N-(1-cyanocyclohexyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(1-methylbenzimidazol-2-yl)thio]propionamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3N2C

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C18H22N4OS/c1-13(16(23)21-18(12-19)10-6-3-7-11-18)24-17-20-14-8-4-5-9-15(14)22(17)2/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,21,23)/t13-/m1/s1