N-(3-chloranyl-2-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C22H24ClN3O2S/c1-3-28-16-9-10-19-20(12-16)29-22(25-19)26-11-5-6-15(13-26)21(27)24-18-8-4-7-17(23)14(18)2/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,24,27)