methyl 2-[[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(4-methyl-1-piperazinyl)methyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(4-methylpiperazin-1-yl)methyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[(4-methylpiperazino)methyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c1-27-12-14-28(15-13-27)18-19-9-10-21(22(17-19)20-7-5-4-6-8-20)24(29)26-23(11-16-32-3)25(30)31-2/h4-10,17,23H,11-16,18H2,1-3H3,(H,26,29)