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

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]thiourea Traditional Name: 1-(2,3-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=C(C(=CC=C1)NC(=S)NCCC[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4OS/c1-18-6-4-7-22(19(18)2)25-23(29)24-12-5-13-26-14-16-27(17-15-26)20-8-10-21(28-3)11-9-20/h4,6-11H,5,12-17H2,1-3H3,(H2,24,25,29)/p+1