1-cyclohexyl-3-(4-methylsulfanylphenyl)-1-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-cyclohexyl-3-(4-methylsulfanylphenyl)-1-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-1-cyclohexyl-3-(4-methylsulfanylphenyl)urea CAS Name: 1-cyclohexyl-3-[4-(methylthio)phenyl]-1-[3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-cyclohexyl-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-(4-benzylpiperazino)-3-keto-propyl]-1-cyclohexyl-3-[4-(methylthio)phenyl]urea Formula: C28H38N4O2S MolecularWeight: 494.69192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C28H38N4O2S/c1-35-26-14-12-24(13-15-26)29-28(34)32(25-10-6-3-7-11-25)17-16-27(33)31-20-18-30(19-21-31)22-23-8-4-2-5-9-23/h2,4-5,8-9,12-15,25H,3,6-7,10-11,16-22H2,1H3,(H,29,34)