1-(2-chloranyl-5-methyl-phenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-methyl-phenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea Openeye Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea CAS Name: 1-(2-chloro-5-methylphenyl)-3-[2-[4-(4-ethoxyphenyl)-1-piperazin-1-iumyl]ethyl]thiourea IUPAC Name: 1-(2-chloro-5-methylphenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea Traditional Name: 1-(2-chloro-5-methyl-phenyl)-3-[2-(4-p-phenetylpiperazin-1-ium-1-yl)ethyl]thiourea Formula: C22H30ClN4OS+ MolecularWeight: 434.0178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NC3=C(C=CC(=C3)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NC3=C(C=CC(=C3)C)Cl

InChI

InChI=1S/C22H29ClN4OS/c1-3-28-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-10-24-22(29)25-21-16-17(2)4-9-20(21)23/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,29)/p+1