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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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