ethyl 4-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-chloranyl-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-chloro-3-(2-thenoylamino)benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H20ClN3O4S/c1-2-27-19(26)23-9-7-22(8-10-23)18(25)13-5-6-14(20)15(12-13)21-17(24)16-4-3-11-28-16/h3-6,11-12H,2,7-10H2,1H3,(H,21,24)