ethyl 4-[2-[4-(4-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(4-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-[4-(4-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[4-(4-chloro-2-methylphenyl)-1-piperazin-1-iumyl]ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-chloro-2-methylphenyl)piperazin-1-ium-1-yl]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-[4-(4-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H30ClN4O2S+ MolecularWeight: 462.0279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C23H29ClN4O2S/c1-3-30-22(29)18-4-7-20(8-5-18)26-23(31)25-10-11-27-12-14-28(15-13-27)21-9-6-19(24)16-17(21)2/h4-9,16H,3,10-15H2,1-2H3,(H2,25,26,31)/p+1