(1R,2R)-N-(cyanomethyl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]cyclohexanecarboxamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)SCC3CCCCC3C(=O)NCC#N

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)SC[C@@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C18H21N3O2S2/c1-23-13-6-7-16-15(10-13)21-18(25-16)24-11-12-4-2-3-5-14(12)17(22)20-9-8-19/h6-7,10,12,14H,2-5,9,11H2,1H3,(H,20,22)/t12-,14+/m0/s1