2-[[1-(2-bromophenyl)-2-(butylamino)-2-oxidanylidene-ethyl]-[4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-(2-bromophenyl)-2-(butylamino)-2-oxidanylidene-ethyl]-[4-[[1,1,4-tris(oxidanylidene)-1,2,5-thiadiazolidin-2-yl]methyl]phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[[1-(2-bromophenyl)-2-(butylamino)-2-oxo-ethyl]-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid CAS Name: 2-[[1-(2-bromophenyl)-2-(butylamino)-2-oxoethyl]-[oxo-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[1-(2-bromophenyl)-2-(butylamino)-2-oxoethyl]-[4-[(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid Traditional Name: 2-[[1-(2-bromophenyl)-2-(butylamino)-2-keto-ethyl]-[4-[(1,1,4-triketo-1,2,5-thiadiazolidin-2-yl)methyl]benzoyl]amino]acetic acid Formula: C24H27BrN4O7S MolecularWeight: 595.46278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC=CC=C1Br)N(CC(=O)O)C(=O)C2=CC=C(C=C2)CN3CC(=O)NS3(=O)=O

Isomeric SMILES

CCCCNC(=O)C(C1=CC=CC=C1Br)N(CC(=O)O)C(=O)C2=CC=C(C=C2)CN3CC(=O)NS3(=O)=O

InChI

InChI=1S/C24H27BrN4O7S/c1-2-3-12-26-23(33)22(18-6-4-5-7-19(18)25)29(15-21(31)32)24(34)17-10-8-16(9-11-17)13-28-14-20(30)27-37(28,35)36/h4-11,22H,2-3,12-15H2,1H3,(H,26,33)(H,27,30)(H,31,32)