dipropan-2-yl 5-[(3-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(3-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(3-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-acetylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(3-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-acetylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C)C(=O)OC(C)C

InChI

InChI=1S/C23H26N2O5S/c1-13(2)29-21(27)17-9-18(22(28)30-14(3)4)12-20(11-17)25-23(31)24-19-8-6-7-16(10-19)15(5)26/h6-14H,1-5H3,(H2,24,25,31)