N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-2,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-propyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpropyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-3-(methylthio)propyl]-2,4-dimethyl-benzenesulfonamide Formula: C19H22N2O2S3 MolecularWeight: 406.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCSC)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC(CCSC)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H22N2O2S3/c1-13-8-9-18(14(2)12-13)26(22,23)21-16(10-11-24-3)19-20-15-6-4-5-7-17(15)25-19/h4-9,12,16,21H,10-11H2,1-3H3