N-[4-[(3-ethanoylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(3-ethanoylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(3-acetylphenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S2/c1-15(26)17-8-5-9-19(14-17)24-22(30)23-18-10-12-20(13-11-18)31(28,29)25-21(27)16-6-3-2-4-7-16/h2-14H,1H3,(H,25,27)(H2,23,24,30)