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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H31N3O5S/c1-4-5-6-7-16-33-20-12-10-19(11-13-20)24(30)27-28-25(34)26-23(29)15-9-18-8-14-21(31-2)22(17-18)32-3/h8-15,17H,4-7,16H2,1-3H3,(H,27,30)(H2,26,28,29,34)/b15-9+