1-(2-cyano-4,5-dimethoxy-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea

Systemtic Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Openeye Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea CAS Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]thiourea IUPAC Name: 1-(2-cyano-4,5-dimethoxyphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Traditional Name: 1-(2-cyano-4,5-dimethoxy-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiourea Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3C#N)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=CC(=C(C=C3C#N)OC)OC

InChI

InChI=1S/C21H25N5O2S/c1-25-8-10-26(11-9-25)17-6-4-16(5-7-17)23-21(29)24-18-13-20(28-3)19(27-2)12-15(18)14-22/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24,29)/p+1