ethyl 4-[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26BrN3O4S MolecularWeight: 472.39644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H26BrN3O4S/c1-3-27-19(26)23-11-9-22(10-12-23)18(25)16(8-13-28-2)21-17(24)14-6-4-5-7-15(14)20/h4-7,16H,3,8-13H2,1-2H3,(H,21,24)