1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(2,5-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Formula: C23H33N4OS+ MolecularWeight: 413.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N4OS/c1-18-5-6-19(2)22(17-18)25-23(29)24-11-4-12-26-13-15-27(16-14-26)20-7-9-21(28-3)10-8-20/h5-10,17H,4,11-16H2,1-3H3,(H2,24,25,29)/p+1