1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[3-(phenylthio)propyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-phenylsulfanylpropyl)piperidine-3-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[3-(phenylthio)propyl]nipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S2/c26-22(23-13-7-15-29-18-9-2-1-3-10-18)17-8-6-14-25(16-17)21-19-11-4-5-12-20(19)30(27,28)24-21/h1-5,9-12,17H,6-8,13-16H2,(H,23,26)