(1R,2R)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyanomethyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyanomethyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyanomethyl)cyclohexanecarboxamide CAS Name: (1R,2R)-2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyanomethyl)-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyanomethyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-2-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyanomethyl)cyclohexanecarboxamide Formula: C17H19N3OS2 MolecularWeight: 345.48226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=NC3=CC=CC=C3S2)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=NC3=CC=CC=C3S2)C(=O)NCC#N

InChI

InChI=1S/C17H19N3OS2/c18-9-10-19-16(21)13-6-2-1-5-12(13)11-22-17-20-14-7-3-4-8-15(14)23-17/h3-4,7-8,12-13H,1-2,5-6,10-11H2,(H,19,21)/t12-,13+/m0/s1