ethyl 4-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[2,6-bis(chloranyl)phenyl]-5-methyl-1,2-oxazol-4-yl]carbonylcarbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H20Cl2N4O4S MolecularWeight: 471.3575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C

InChI

InChI=1S/C19H20Cl2N4O4S/c1-3-28-19(27)25-9-7-24(8-10-25)18(30)22-17(26)14-11(2)29-23-16(14)15-12(20)5-4-6-13(15)21/h4-6H,3,7-10H2,1-2H3,(H,22,26,30)