1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1-phenethyl-urea

Systemtic Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]-1-phenethyl-urea Openeye Name: 3-[1-(benzylsulfanylmethyl)-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-1-(2-hydroxyethyl)-1-phenethyl-urea CAS Name: 1-(2-hydroxyethyl)-3-[1-(4-methyl-1-piperazinyl)-1-oxo-3-(phenylmethylthio)propan-2-yl]-1-phenethylurea IUPAC Name: 3-[3-benzylsulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2-hydroxyethyl)-1-phenethylurea Traditional Name: 3-[1-[(benzylthio)methyl]-2-keto-2-(4-methylpiperazino)ethyl]-1-(2-hydroxyethyl)-1-phenethyl-urea Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CSCC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCO

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CSCC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCO

InChI

InChI=1S/C26H36N4O3S/c1-28-14-16-29(17-15-28)25(32)24(21-34-20-23-10-6-3-7-11-23)27-26(33)30(18-19-31)13-12-22-8-4-2-5-9-22/h2-11,24,31H,12-21H2,1H3,(H,27,33)