3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(dimethylamino)phenyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(dimethylamino)phenyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(dimethylamino)phenyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(dimethylamino)phenyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(dimethylamino)phenyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(dimethylamino)phenyl]propane-1-sulfonamide Formula: C18H21N3O2S3 MolecularWeight: 407.57324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S3/c1-21(2)15-8-5-7-14(13-15)20-26(22,23)12-6-11-24-18-19-16-9-3-4-10-17(16)25-18/h3-5,7-10,13,20H,6,11-12H2,1-2H3