3-[(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)carbamoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[(4,5-dihydrobenzo[g][1]benzothiol-2-ylcarbonylamino)carbamoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[4,5-dihydrobenzo[g][1]benzothiol-2-yl(oxo)methyl]hydrazo]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[(4,5-dihydrobenzo[g][1]benzothiole-2-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[(4,5-dihydrobenzo[g]benzothiophene-2-carbonylamino)carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C22H21N3O4S2/c1-25(2)31(28,29)17-8-5-7-16(12-17)21(26)23-24-22(27)19-13-15-11-10-14-6-3-4-9-18(14)20(15)30-19/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H,24,27)