3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[methyl(phenyl)amino]propyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-[methyl(phenyl)amino]propyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(N-methylanilino)propyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(N-methylanilino)propyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(N-methylanilino)propyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-[3-(N-methylanilino)propyl]propane-1-sulfonamide Formula: C20H25N3O2S3 MolecularWeight: 435.6264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNS(=O)(=O)CCCSC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CN(CCCNS(=O)(=O)CCCSC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S3/c1-23(17-9-3-2-4-10-17)14-7-13-21-28(24,25)16-8-15-26-20-22-18-11-5-6-12-19(18)27-20/h2-6,9-12,21H,7-8,13-16H2,1H3