2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]cyclohexanecarboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]-1-cyclohexanecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]cyclohexane-1-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethoxy)phenyl]cyclohexanecarboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)OCC#N

Isomeric SMILES

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)NC4=CC=C(C=C4)OCC#N

InChI

InChI=1S/C22H21N3O2S/c23-13-14-27-16-11-9-15(10-12-16)24-21(26)17-5-1-2-6-18(17)22-25-19-7-3-4-8-20(19)28-22/h3-4,7-12,17-18H,1-2,5-6,14H2,(H,24,26)