3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea

Systemtic Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Openeye Name: 3-[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-phenethyl-1-(2-sulfanylethyl)urea CAS Name: 1-(2-mercaptoethyl)-3-[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]-1-phenethylurea IUPAC Name: 3-[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1-phenethyl-1-(2-sulfanylethyl)urea Traditional Name: 3-[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]-1-(2-mercaptoethyl)-1-phenethyl-urea Formula: C25H34N4O2S MolecularWeight: 454.62806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCS

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCS

InChI

InChI=1S/C25H34N4O2S/c1-27-14-16-28(17-15-27)24(30)23(20-22-10-6-3-7-11-22)26-25(31)29(18-19-32)13-12-21-8-4-2-5-9-21/h2-11,23,32H,12-20H2,1H3,(H,26,31)