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

Systemtic Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-1-phenethyl-urea Openeye Name: 1-(2-hydroxyethyl)-3-[2-(4-methylpiperazin-1-yl)-1-(methylsulfanylmethyl)-2-oxo-ethyl]-1-phenethyl-urea CAS Name: 1-(2-hydroxyethyl)-3-[1-(4-methyl-1-piperazinyl)-3-(methylthio)-1-oxopropan-2-yl]-1-phenethylurea IUPAC Name: 1-(2-hydroxyethyl)-3-[1-(4-methylpiperazin-1-yl)-3-methylsulfanyl-1-oxopropan-2-yl]-1-phenethylurea Traditional Name: 1-(2-hydroxyethyl)-3-[2-keto-2-(4-methylpiperazino)-1-[(methylthio)methyl]ethyl]-1-phenethyl-urea Formula: C20H32N4O3S MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CSC)NC(=O)N(CCC2=CC=CC=C2)CCO

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CSC)NC(=O)N(CCC2=CC=CC=C2)CCO

InChI

InChI=1S/C20H32N4O3S/c1-22-10-12-23(13-11-22)19(26)18(16-28-2)21-20(27)24(14-15-25)9-8-17-6-4-3-5-7-17/h3-7,18,25H,8-16H2,1-2H3,(H,21,27)