N-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(3,4-dimethoxyphenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O5S2/c1-29-19-13-10-17(14-20(19)30-2)24-22(31)23-16-8-11-18(12-9-16)32(27,28)25-21(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,25,26)(H2,23,24,31)