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

Systemtic Name: ethyl 4-[2-chloranyl-6-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-chloro-6-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-chloro-6-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-6-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-chloro-6-[[2-methoxy-4-(methylthio)benzoyl]amino]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-4-30-22(28)26-12-10-25(11-13-26)20-17(23)6-5-7-18(20)24-21(27)16-9-8-15(31-3)14-19(16)29-2/h5-9,14H,4,10-13H2,1-3H3,(H,24,27)