(E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[(2-allyloxybenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[oxo-(2-prop-2-enoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-prop-2-enoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(2-allyloxybenzoyl)amino]thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC=C)OC

InChI

InChI=1S/C22H23N3O5S/c1-4-13-30-17-8-6-5-7-16(17)21(27)24-25-22(31)23-20(26)12-10-15-9-11-18(28-2)19(14-15)29-3/h4-12,14H,1,13H2,2-3H3,(H,24,27)(H2,23,25,26,31)/b12-10+