N-[4-[(2-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(2-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-(o-tolylcarbamothioylamino)phenyl]sulfonylbenzamide CAS Name: N-[4-[[(2-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(2-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-(o-tolylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

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