3-[(4-methylphenyl)sulfonylcarbamothioylamino]-N-octyl-benzamide

Systemtic Name: 3-[(4-methylphenyl)sulfonylcarbamothioylamino]-N-octyl-benzamide Openeye Name: N-octyl-3-(p-tolylsulfonylcarbamothioylamino)benzamide CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-sulfanylidenemethyl]amino]-N-octylbenzamide IUPAC Name: 3-[(4-methylphenyl)sulfonylcarbamothioylamino]-N-octylbenzamide Traditional Name: N-octyl-3-(tosylthiocarbamoylamino)benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC(=CC=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC(=CC=C1)NC(=S)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H31N3O3S2/c1-3-4-5-6-7-8-16-24-22(27)19-10-9-11-20(17-19)25-23(30)26-31(28,29)21-14-12-18(2)13-15-21/h9-15,17H,3-8,16H2,1-2H3,(H,24,27)(H2,25,26,30)