1-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea

Systemtic Name: 1-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea Openeye Name: [1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea CAS Name: [3-(cyclohexylmethylthio)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]urea IUPAC Name: [3-(cyclohexylmethylsulfanyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea Traditional Name: [1-[(cyclohexylmethylthio)methyl]-2-keto-2-(4-phenylpiperazino)ethyl]urea Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C21H32N4O2S/c22-21(27)23-19(16-28-15-17-7-3-1-4-8-17)20(26)25-13-11-24(12-14-25)18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2,(H3,22,23,27)