2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide

Systemtic Name: 2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide Openeye Name: 2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide CAS Name: 2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)-4-pyridinecarboxamide IUPAC Name: 2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide Traditional Name: 2-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)isonicotinamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3CCCCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CCl

Isomeric SMILES

COC1=C2C(=C(C=C1)C3CCCCC3)SC(=N2)NC(=O)C4=CC(=NC=C4)CCl

InChI

InChI=1S/C21H22ClN3O2S/c1-27-17-8-7-16(13-5-3-2-4-6-13)19-18(17)24-21(28-19)25-20(26)14-9-10-23-15(11-14)12-22/h7-11,13H,2-6,12H2,1H3,(H,24,25,26)