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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C24H35N3OS2 MolecularWeight: 445.6842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCSC4CCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCC(CC3)C(=O)NCCCSC4CCCCC4)C

InChI

InChI=1S/C24H35N3OS2/c1-17-15-18(2)22-21(16-17)30-24(26-22)27-12-9-19(10-13-27)23(28)25-11-6-14-29-20-7-4-3-5-8-20/h15-16,19-20H,3-14H2,1-2H3,(H,25,28)