N-[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(2-methoxy-5-methyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(2-methoxy-5-methylanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(2-methoxy-5-methylphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(2-methoxy-5-methyl-phenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S2/c1-15-8-13-20(29-2)19(14-15)24-22(30)23-17-9-11-18(12-10-17)31(27,28)25-21(26)16-6-4-3-5-7-16/h3-14H,1-2H3,(H,25,26)(H2,23,24,30)