1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-cyclohexyl-3-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-cyclohexyl-3-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C18H29N4S+ MolecularWeight: 333.51466

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=S)NC3CCCCC3

InChI

InChI=1S/C18H28N4S/c1-21-11-13-22(14-12-21)17-10-6-5-9-16(17)20-18(23)19-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H2,19,20,23)/p+1