1-[4-methylsulfanyl-1-oxidanylidene-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]urea

Systemtic Name: 1-[4-methylsulfanyl-1-oxidanylidene-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]urea Openeye Name: [3-methylsulfanyl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]propyl]urea CAS Name: [4-(methylthio)-1-oxo-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]butan-2-yl]urea IUPAC Name: [4-methylsulfanyl-1-oxo-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]urea Traditional Name: [3-(methylthio)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]propyl]urea Formula: C20H32N4O4S2 MolecularWeight: 456.62248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C(CCSC)NC(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C(CCSC)NC(=O)N)C)C

InChI

InChI=1S/C20H32N4O4S2/c1-13-12-14(2)16(4)18(15(13)3)30(27,28)24-9-7-23(8-10-24)19(25)17(6-11-29-5)22-20(21)26/h12,17H,6-11H2,1-5H3,(H3,21,22,26)