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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]acrylamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C23H26ClN3O3S/c1-2-3-4-7-16-30-19-13-10-18(11-14-19)22(29)26-27-23(31)25-21(28)15-12-17-8-5-6-9-20(17)24/h5-6,8-15H,2-4,7,16H2,1H3,(H,26,29)(H2,25,27,28,31)/b15-12+