3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,3-dimethylphenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,3-dimethylphenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,3-dimethylphenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(2,3-dimethylphenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2,3-dimethylphenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(2,3-dimethylbenzyl)propane-1-sulfonamide Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C(=CC=C1)CNS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H22N2O2S3/c1-14-7-5-8-16(15(14)2)13-20-26(22,23)12-6-11-24-19-21-17-9-3-4-10-18(17)25-19/h3-5,7-10,20H,6,11-13H2,1-2H3