ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-(phenylazanylcarbamoyl)prop-2-enoate

Systemtic Name: ethyl (Z)-3-[(4-chlorophenyl)carbamothioylamino]-2-(phenylazanylcarbamoyl)prop-2-enoate Openeye Name: ethyl (Z)-2-(anilinocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate CAS Name: (Z)-3-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-2-[oxo-(phenylhydrazo)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-(anilinocarbamoyl)-3-[(4-chlorophenyl)carbamothioylamino]prop-2-enoate Traditional Name: (Z)-2-(anilinocarbamoyl)-3-[(4-chlorophenyl)thiocarbamoylamino]acrylic acid ethyl ester Formula: C19H19ClN4O3S MolecularWeight: 418.89716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)Cl)C(=O)NNC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C\NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)NNC2=CC=CC=C2

InChI

InChI=1S/C19H19ClN4O3S/c1-2-27-18(26)16(17(25)24-23-15-6-4-3-5-7-15)12-21-19(28)22-14-10-8-13(20)9-11-14/h3-12,23H,2H2,1H3,(H,24,25)(H2,21,22,28)/b16-12-