(2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propionamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C18H22N4O2S/c1-12(16(23)22-18(11-19)8-4-3-5-9-18)25-17-20-14-7-6-13(24-2)10-15(14)21-17/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,20,21)(H,22,23)/t12-/m1/s1