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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-1-(6-ethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3OS/c1-2-16-5-8-20-21(15-16)29-23(26-20)27-13-10-18(11-14-27)22(28)25-12-9-17-3-6-19(24)7-4-17/h3-8,15,18H,2,9-14H2,1H3,(H,25,28)