3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)propane-1-sulfonamide

Systemtic Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)propane-1-sulfonamide Openeye Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(o-tolyl)propane-1-sulfonamide CAS Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(2-methylphenyl)-1-propanesulfonamide IUPAC Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methylphenyl)propane-1-sulfonamide Traditional Name: 3-[(5-methyl-1,3-benzothiazol-2-yl)thio]-N-(o-tolyl)propane-1-sulfonamide Formula: C18H20N2O2S3 MolecularWeight: 392.5586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)SCCCS(=O)(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)SCCCS(=O)(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C18H20N2O2S3/c1-13-8-9-17-16(12-13)19-18(24-17)23-10-5-11-25(21,22)20-15-7-4-3-6-14(15)2/h3-4,6-9,12,20H,5,10-11H2,1-2H3