(1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide

Systemtic Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide Openeye Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)cyclohexanecarboxamide CAS Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)-1-cyclohexanecarboxamide IUPAC Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)cyclohexane-1-carboxamide Traditional Name: (1S,2R)-2-(1,3-benzothiazol-2-yl)-N-(4-methylcyclohexyl)cyclohexanecarboxamide Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H]2CCCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N2OS/c1-14-10-12-15(13-11-14)22-20(24)16-6-2-3-7-17(16)21-23-18-8-4-5-9-19(18)25-21/h4-5,8-9,14-17H,2-3,6-7,10-13H2,1H3,(H,22,24)/t14?,15?,16-,17+/m0/s1