N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-(homoveratrylthiocarbamoylamino)phenyl]sulfonylbenzamide Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S2/c1-31-21-13-8-17(16-22(21)32-2)14-15-25-24(33)26-19-9-11-20(12-10-19)34(29,30)27-23(28)18-6-4-3-5-7-18/h3-13,16H,14-15H2,1-2H3,(H,27,28)(H2,25,26,33)