N-(5-chloranyl-2-methoxy-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H24ClN3O3S MolecularWeight: 445.96226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H24ClN3O3S/c1-3-29-16-5-6-17-20(13-16)30-22(25-17)26-10-8-14(9-11-26)21(27)24-18-12-15(23)4-7-19(18)28-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,27)