1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(propylthio)propyl]nipecotamide Formula: C21H31N3O2S2 MolecularWeight: 421.61974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1CCCN(C1)C2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCCSCCCNC(=O)C1CCCN(C1)C2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C21H31N3O2S2/c1-3-12-27-13-6-10-22-20(25)16-7-5-11-24(15-16)21-23-18-9-8-17(26-4-2)14-19(18)28-21/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,22,25)