N-[(2-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-2-28-17-7-8-19-20(13-17)29-22(25-19)26-11-9-15(10-12-26)21(27)24-14-16-5-3-4-6-18(16)23/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,27)