ethyl 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-(4-methoxyphenyl)ethyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H29N3O3S/c1-3-29-22(27)19-6-8-20(9-7-19)24-23(30)26-16-14-25(15-17-26)13-12-18-4-10-21(28-2)11-5-18/h4-11H,3,12-17H2,1-2H3,(H,24,30)/p+1