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

Systemtic Name: 1-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]urea Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-13(23)14-3-5-15(6-4-14)21-8-10-22(11-9-21)17(24)16(7-12-26-2)20-18(19)25/h3-6,16H,7-12H2,1-2H3,(H3,19,20,25)/t16-/m0/s1