ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoate CAS Name: 4-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoate Traditional Name: 4-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-3-20-14(19)12-4-6-13(7-5-12)16-15(21)18-10-8-17(2)9-11-18/h4-7H,3,8-11H2,1-2H3,(H,16,21)/p+1