ethyl 4-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C15H23N4O3S3+ MolecularWeight: 403.56312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CC[NH+](CC2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC(=S)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C15H22N4O3S3/c1-4-22-13(21)12-10(2)16-14(25-12)17-11(20)9-24-15(23)19-7-5-18(3)6-8-19/h4-9H2,1-3H3,(H,16,17,20)/p+1