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

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

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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)C

Isomeric SMILES

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

InChI

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