N-[4-[(4-methylphenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(4-methylphenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-(p-tolylmethylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(4-methylphenyl)methylcarbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(4-methylbenzyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S2/c1-16-7-9-17(10-8-16)15-23-22(29)24-19-11-13-20(14-12-19)30(27,28)25-21(26)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,25,26)(H2,23,24,29)