3-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-ylethanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[(2-thiophen-2-ylethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[[[2-(2-thienyl)acetyl]amino]carbamothioyl]prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[[(1-oxo-2-thiophen-2-ylethyl)hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[[(2-thiophen-2-ylacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[[[2-(2-thienyl)acetyl]amino]thiocarbamoyl]acrylamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CC2=CC=CS2)OC

InChI

InChI=1S/C18H19N3O4S2/c1-24-14-7-5-12(10-15(14)25-2)6-8-16(22)19-18(26)21-20-17(23)11-13-4-3-9-27-13/h3-10H,11H2,1-2H3,(H,20,23)(H2,19,21,22,26)