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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)carbamothioyl]prop-2-enamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-[(4-sulfamoylphenyl)thiocarbamoyl]acrylamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S2/c1-25-15-9-3-12(11-16(15)26-2)4-10-17(22)21-18(27)20-13-5-7-14(8-6-13)28(19,23)24/h3-11H,1-2H3,(H2,19,23,24)(H2,20,21,22,27)