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

Systemtic Name: 1-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]urea Openeye Name: [(1S)-1-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-4-(methylthio)-1-oxo-1-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]butan-2-yl]urea IUPAC Name: [(2S)-4-methylsulfanyl-1-oxo-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]urea Traditional Name: [(1S)-3-(methylthio)-1-(4-p-cumenylsulfonylpiperazine-1-carbonyl)propyl]urea Formula: C19H30N4O4S2 MolecularWeight: 442.5959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S2/c1-14(2)15-4-6-16(7-5-15)29(26,27)23-11-9-22(10-12-23)18(24)17(8-13-28-3)21-19(20)25/h4-7,14,17H,8-13H2,1-3H3,(H3,20,21,25)/t17-/m0/s1