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

Systemtic Name: 1-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-3-methylsulfanyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]urea CAS Name: [(2S)-1-[4-(2-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-3-(methylthio)-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]urea Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H26N4O2S/c1-13-5-3-4-6-15(13)20-8-10-21(11-9-20)16(22)14(7-12-24-2)19-17(18)23/h3-6,14H,7-12H2,1-2H3,(H3,18,19,23)/t14-/m0/s1