2-[[4-[(4-fluorophenyl)-(2-imidazol-1-ylethyl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-[(4-fluorophenyl)-(2-imidazol-1-ylethyl)amino]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[4-fluoro-N-[2-(1-imidazolyl)ethyl]anilino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[4-fluoro-N-(2-imidazol-1-ylethyl)anilino]-2-phenyl-benzoyl]amino]-4-(methylthio)butyrate Formula: C29H28FN4O3S- MolecularWeight: 531.621023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)N(CCN2C=CN=C2)C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)[O-])NC(=O)C1=C(C=C(C=C1)N(CCN2C=CN=C2)C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C29H29FN4O3S/c1-38-18-13-27(29(36)37)32-28(35)25-12-11-24(19-26(25)21-5-3-2-4-6-21)34(17-16-33-15-14-31-20-33)23-9-7-22(30)8-10-23/h2-12,14-15,19-20,27H,13,16-18H2,1H3,(H,32,35)(H,36,37)/p-1