1-(2-hydroxyethyl)-3-[3-[4-methyl-3-(phenylmethylsulfanyl)piperazin-2-yl]-3-oxidanylidene-propyl]-1-phenethyl-urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(C1SCC2=CC=CC=C2)C(=O)CCNC(=O)N(CCC3=CC=CC=C3)CCO

Isomeric SMILES

CN1CCNC(C1SCC2=CC=CC=C2)C(=O)CCNC(=O)N(CCC3=CC=CC=C3)CCO

InChI

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