N-(1,3-benzothiazol-2-yl)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloranyl-2-methoxy-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxy-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(5-chloro-2-methoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(5-chloro-2-methoxy-benzoyl)isonipecotamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20ClN3O3S/c1-28-17-7-6-14(22)12-15(17)20(27)25-10-8-13(9-11-25)19(26)24-21-23-16-4-2-3-5-18(16)29-21/h2-7,12-13H,8-11H2,1H3,(H,23,24,26)