[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)N)C(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrN2O4S/c20-14-6-8-16(9-7-14)27-13-19(25)26-12-18(24)22(11-10-17(21)23)15-4-2-1-3-5-15/h1-9H,10-13H2,(H2,21,23)