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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H25N3O5S/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/h5-12,14H,4,13H2,1-3H3,(H,24,27)(H2,23,25,26,31)/b12-10+