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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]thiourea Formula: C24H35N4OS+ MolecularWeight: 427.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NCCCC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C24H34N4OS/c1-19-16-20(2)18-21(17-19)26-24(30)25-10-6-7-11-27-12-14-28(15-13-27)22-8-4-5-9-23(22)29-3/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3,(H2,25,26,30)/p+1