1-[4-[[1-hexyl-2,4-bis(oxidanylidene)piperazine-1,4-diium-1-yl]methyl]phenyl]thiourea

Systemtic Name: 1-[4-[[1-hexyl-2,4-bis(oxidanylidene)piperazine-1,4-diium-1-yl]methyl]phenyl]thiourea Openeye Name: [4-[(1-hexyl-2,4-dioxo-piperazine-1,4-diium-1-yl)methyl]phenyl]thiourea CAS Name: [4-[(1-hexyl-2,4-dioxo-1-piperazine-1,4-diiumyl)methyl]phenyl]thiourea IUPAC Name: [4-[(1-hexyl-2,4-dioxopiperazine-1,4-diium-1-yl)methyl]phenyl]thiourea Traditional Name: [4-[(1-hexyl-2,4-diketo-piperazine-1,4-diium-1-yl)methyl]phenyl]thiourea Formula: C18H28N4O2S+2 MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC(=S)N

Isomeric SMILES

CCCCCC[N+]1(CC[N+](=O)CC1=O)CC2=CC=C(C=C2)NC(=S)N

InChI

InChI=1S/C18H27N4O2S/c1-2-3-4-5-11-22(12-10-21(24)13-17(22)23)14-15-6-8-16(9-7-15)20-18(19)25/h6-9H,2-5,10-14H2,1H3,(H2-,19,20,25)/q+1/p+1