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

Systemtic Name: 1-[(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-3-methylsulfanyl-1-[4-(o-tolylmethyl)piperazine-1-carbonyl]propyl]urea CAS Name: [(2S)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(2-methylbenzyl)piperazine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H28N4O2S/c1-14-5-3-4-6-15(14)13-21-8-10-22(11-9-21)17(23)16(7-12-25-2)20-18(19)24/h3-6,16H,7-13H2,1-2H3,(H3,19,20,24)/t16-/m0/s1