4-methyl-N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-methyl-N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]sulfonyl-benzamide Openeye Name: 4-methyl-N-[4-(m-tolylcarbamothioylamino)phenyl]sulfonyl-benzamide CAS Name: 4-methyl-N-[4-[[(3-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: 4-methyl-N-[4-[(3-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: 4-methyl-N-[4-(m-tolylthiocarbamoylamino)phenyl]sulfonyl-benzamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C

InChI

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