3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-ethanoylphenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-ethanoylphenyl)propane-1-sulfonamide Openeye Name: N-(3-acetylphenyl)-3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonamide CAS Name: N-(3-acetylphenyl)-3-(1,3-benzothiazol-2-ylthio)-1-propanesulfonamide IUPAC Name: N-(3-acetylphenyl)-3-(1,3-benzothiazol-2-ylsulfanyl)propane-1-sulfonamide Traditional Name: N-(3-acetylphenyl)-3-(1,3-benzothiazol-2-ylthio)propane-1-sulfonamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S3/c1-13(21)14-6-4-7-15(12-14)20-26(22,23)11-5-10-24-18-19-16-8-2-3-9-17(16)25-18/h2-4,6-9,12,20H,5,10-11H2,1H3