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

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-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=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCC4=CC(=CC=C4)Cl

InChI

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