2-[2-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]sulfanylethanamide Openeye Name: 2-[2-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]thio]acetamide IUPAC Name: 2-[2-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamoyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[(homoveratrylthiocarbamoylamino)carbamoyl]phenyl]thio]acetamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=CC=C2SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=CC=C2SCC(=O)N)OC

InChI

InChI=1S/C20H24N4O4S2/c1-27-15-8-7-13(11-16(15)28-2)9-10-22-20(29)24-23-19(26)14-5-3-4-6-17(14)30-12-18(21)25/h3-8,11H,9-10,12H2,1-2H3,(H2,21,25)(H,23,26)(H2,22,24,29)