N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C22H31N3O2S/c1-14-5-4-6-18(15(14)2)23-21(26)16-9-11-25(12-10-16)22-24-19-8-7-17(27-3)13-20(19)28-22/h7-8,13-16,18H,4-6,9-12H2,1-3H3,(H,23,26)