1-[(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-3-methylsulfanyl-1-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]propyl]urea CAS Name: [(2S)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-3-(methylthio)-1-(4-tosylpiperazine-1-carbonyl)propyl]urea Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H26N4O4S2/c1-13-3-5-14(6-4-13)27(24,25)21-10-8-20(9-11-21)16(22)15(7-12-26-2)19-17(18)23/h3-6,15H,7-12H2,1-2H3,(H3,18,19,23)/t15-/m0/s1