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

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-[4-(methylthio)phenyl]ethyl]nipecotamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)SC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCCC(C3)C(=O)NCCC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H29N3O2S2/c1-3-29-19-8-11-21-22(15-19)31-24(26-21)27-14-4-5-18(16-27)23(28)25-13-12-17-6-9-20(30-2)10-7-17/h6-11,15,18H,3-5,12-14,16H2,1-2H3,(H,25,28)