1-(2,3-dimethylphenyl)-3-[2-[4-(4-ethoxyphenyl)piperazin-1-ium-1-yl]ethyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NC3=CC=CC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC[NH+](CC2)CCNC(=S)NC3=CC=CC(=C3C)C

InChI

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