N-[4-[(2,3-dimethylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(2,3-dimethylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(2,3-dimethylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(2,3-dimethylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(2,3-dimethylphenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c1-15-7-6-10-20(16(15)2)24-22(29)23-18-11-13-19(14-12-18)30(27,28)25-21(26)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,25,26)(H2,23,24,29)