4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylthio)butanoyl-methyl-amino]methyl]-N-methyl-benzamide Formula: C21H23N3O2S2 MolecularWeight: 413.55622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O2S2/c1-22-20(26)16-11-9-15(10-12-16)14-24(2)19(25)8-5-13-27-21-23-17-6-3-4-7-18(17)28-21/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3,(H,22,26)