1-[(2S)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]urea Formula: C15H24BrN4O2S+ MolecularWeight: 404.34566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br)NC(=O)N

InChI

InChI=1S/C15H23BrN4O2S/c1-10(2)13(18-15(17)22)14(21)20-7-5-19(6-8-20)9-11-3-4-12(16)23-11/h3-4,10,13H,5-9H2,1-2H3,(H3,17,18,22)/p+1/t13-/m0/s1