N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H28N4O3S4 MolecularWeight: 524.74272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S4/c1-24(2)13-14-26(22-23-20-17(30-3)6-4-7-18(20)32-22)21(27)16-9-11-25(12-10-16)33(28,29)19-8-5-15-31-19/h4-8,15-16H,9-14H2,1-3H3