1-[(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1R)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]urea CAS Name: [(2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1R)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]urea Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C23H30N4O2S/c1-30-17-12-20(25-23(24)29)22(28)27-15-13-26(14-16-27)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3,(H3,24,25,29)/p+1/t20-/m1/s1