methyl 4-[[2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]-2-oxidanylidene-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(2-methoxyethylamino)-sulfanylidenemethyl]-1-piperazinyl]-1,2-dioxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(2-methoxyethylcarbamothioyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[4-(2-methoxyethylthiocarbamoyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCNC(=S)N1CCN(CC1)C(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H24N4O5S/c1-26-12-7-19-18(28)22-10-8-21(9-11-22)16(24)15(23)20-14-5-3-13(4-6-14)17(25)27-2/h3-6H,7-12H2,1-2H3,(H,19,28)(H,20,23)