ethyl 2-[2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[2-(4-methylpiperazin-4-ium-1-yl)carbothioylsulfanylethanoylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[2-[[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-(4-methylpiperazin-4-ium-1-carbothioyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-[(4-methylpiperazin-4-ium-1-carbothioyl)thio]acetyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C15H23N4O3S3+ MolecularWeight: 403.56312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H22N4O3S3/c1-3-22-13(21)8-11-9-24-14(16-11)17-12(20)10-25-15(23)19-6-4-18(2)5-7-19/h9H,3-8,10H2,1-2H3,(H,16,17,20)/p+1