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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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