2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-propanamide

Systemtic Name: 2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methyl-piperidin-4-yl)-3-cyclohexyl-propanamide Openeye Name: 2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methyl-4-piperidyl)-3-cyclohexyl-propanamide CAS Name: 2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methyl-4-piperidinyl)-3-cyclohexylpropanamide IUPAC Name: 2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methylpiperidin-4-yl)-3-cyclohexylpropanamide Traditional Name: 2-(1,2-benzothiazol-3-ylamino)-N-(4-cyano-1-methyl-4-piperidyl)-3-cyclohexyl-propionamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NSC4=CC=CC=C43

Isomeric SMILES

CN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCC2)NC3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H31N5OS/c1-28-13-11-23(16-24,12-14-28)26-22(29)19(15-17-7-3-2-4-8-17)25-21-18-9-5-6-10-20(18)30-27-21/h5-6,9-10,17,19H,2-4,7-8,11-15H2,1H3,(H,25,27)(H,26,29)