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

Systemtic Name: N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-(m-tolylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-(m-tolylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S2/c1-15-6-5-9-18(14-15)23-21(28)22-17-10-12-19(13-11-17)29(26,27)24-20(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25)(H2,22,23,28)