methyl 4,5-dimethoxy-2-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(4-methylpiperazin-4-ium-1-yl)carbothioylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[(4-methylpiperazin-4-ium-1-carbothioyl)amino]benzoic acid methyl ester Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C16H23N3O4S/c1-18-5-7-19(8-6-18)16(24)17-12-10-14(22-3)13(21-2)9-11(12)15(20)23-4/h9-10H,5-8H2,1-4H3,(H,17,24)/p+1