dimethyl 5-[2-[(2S)-3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(2S)-3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(2S)-1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2S)-3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H24N4O6S MolecularWeight: 484.52486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2C(=S)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[C@H]2C(=O)NCCN2C(=S)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N4O6S/c1-32-21(30)14-10-15(22(31)33-2)12-17(11-14)25-19(28)13-18-20(29)24-8-9-27(18)23(34)26-16-6-4-3-5-7-16/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,24,29)(H,25,28)(H,26,34)/t18-/m0/s1