1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-(prop-2-enylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H23N3O3S2/c1-2-15-29-19-9-5-4-8-18(19)23-22(26)16-11-13-25(14-12-16)21-17-7-3-6-10-20(17)30(27,28)24-21/h2-10,16H,1,11-15H2,(H,23,26)