1-(2-aminophenyl)-3-[4-[(4-hexyl-1-oxidanidyl-2-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(2-aminophenyl)-3-[4-[(4-hexyl-1-oxidanidyl-2-oxidanylidene-piperazin-1-ium-1-yl)methyl]phenyl]thiourea Openeye Name: 1-(2-aminophenyl)-3-[4-[(4-hexyl-1-oxido-2-oxo-piperazin-1-ium-1-yl)methyl]phenyl]thiourea CAS Name: 1-(2-aminophenyl)-3-[4-[(4-hexyl-1-oxido-2-oxo-1-piperazin-1-iumyl)methyl]phenyl]thiourea IUPAC Name: 1-(2-aminophenyl)-3-[4-[(4-hexyl-1-oxido-2-oxopiperazin-1-ium-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(2-aminophenyl)-3-[4-[(4-hexyl-2-keto-1-oxido-piperazin-1-ium-1-yl)methyl]phenyl]thiourea Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC[N+](C(=O)C1)(CC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3N)[O-]

Isomeric SMILES

CCCCCCN1CC[N+](C(=O)C1)(CC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3N)[O-]

InChI

InChI=1S/C24H33N5O2S/c1-2-3-4-7-14-28-15-16-29(31,23(30)17-28)18-19-10-12-20(13-11-19)26-24(32)27-22-9-6-5-8-21(22)25/h5-6,8-13H,2-4,7,14-18,25H2,1H3,(H2,26,27,32)