ethyl 4-[2-chloranyl-6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-chloranyl-6-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-6-[(2-chloro-5-methylsulfanyl-benzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-6-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-6-[(2-chloro-5-methylsulfanylbenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-6-[[2-chloro-5-(methylthio)benzoyl]amino]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23Cl2N3O3S MolecularWeight: 468.39662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H23Cl2N3O3S/c1-3-29-21(28)26-11-9-25(10-12-26)19-17(23)5-4-6-18(19)24-20(27)15-13-14(30-2)7-8-16(15)22/h4-8,13H,3,9-12H2,1-2H3,(H,24,27)