1-(phenylcarbonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylcarbonyl)-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Openeye Name: 1-benzoyl-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide CAS Name: 1-benzoyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-benzoyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]piperidine-4-carboxamide Traditional Name: 1-benzoyl-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]isonipecotamide Formula: C25H29N3O2S3 MolecularWeight: 499.71166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S3/c1-17(2)31-14-15-32-25-27-21-9-8-20(16-22(21)33-25)26-23(29)18-10-12-28(13-11-18)24(30)19-6-4-3-5-7-19/h3-9,16-18H,10-15H2,1-2H3,(H,26,29)