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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-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)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-2-28-18-9-10-19-20(12-18)29-22(25-19)26-11-3-4-16(14-26)21(27)24-13-15-5-7-17(23)8-6-15/h5-10,12,16H,2-4,11,13-14H2,1H3,(H,24,27)