(E)-3-(furan-2-yl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C21H25N3O4S/c1-2-3-4-5-14-27-18-10-8-16(9-11-18)20(26)23-24-21(29)22-19(25)13-12-17-7-6-15-28-17/h6-13,15H,2-5,14H2,1H3,(H,23,26)(H2,22,24,25,29)/b13-12+