ethyl N-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate

Systemtic Name: ethyl N-[[2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]carbamate Openeye Name: ethyl N-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]carbamate CAS Name: N-[[2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]carbamate Traditional Name: N-[[2-[(2-bromobenzoyl)amino]-4-(methylthio)butanoyl]amino]carbamic acid ethyl ester Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

CCOC(=O)NNC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H20BrN3O4S/c1-3-23-15(22)19-18-14(21)12(8-9-24-2)17-13(20)10-6-4-5-7-11(10)16/h4-7,12H,3,8-9H2,1-2H3,(H,17,20)(H,18,21)(H,19,22)