1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(propylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-propylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(propylthio)propyl]nipecotamide Formula: C21H31N3OS2 MolecularWeight: 405.62034

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCNC(=O)C1CCCN(C1)C2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCCSCCCNC(=O)C1CCCN(C1)C2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C21H31N3OS2/c1-4-10-26-11-6-8-22-20(25)17-7-5-9-24(14-17)21-23-19-16(3)12-15(2)13-18(19)27-21/h12-13,17H,4-11,14H2,1-3H3,(H,22,25)