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

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-propoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[oxo-(2-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-p-phenetyl-N-[[(2-propoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-15-29-19-8-6-5-7-18(19)21(27)24-25-22(30)23-20(26)14-11-16-9-12-17(13-10-16)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,24,27)(H2,23,25,26,30)/b14-11+