ethyl 2-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-thioxo-thiazol-4-yl]acetate CAS Name: 2-[3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-2-sulfanylidene-1,3-thiazol-4-yl]acetate Traditional Name: 2-[3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C16H22N5O2S2+ MolecularWeight: 380.50818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)CC1=CSC(=S)N1C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H21N5O2S2/c1-2-23-14(22)10-13-11-25-16(24)21(13)12-19-6-8-20(9-7-19)15-17-4-3-5-18-15/h3-5,11H,2,6-10,12H2,1H3/p+1