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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-methyl-N-[4-(methylthio)benzyl]nipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S2/c1-24(14-16-9-11-18(29-2)12-10-16)22(26)17-6-5-13-25(15-17)21-19-7-3-4-8-20(19)30(27,28)23-21/h3-4,7-12,17H,5-6,13-15H2,1-2H3