dipropan-2-yl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(p-phenetylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C23H28N2O5S/c1-6-28-20-9-7-18(8-10-20)24-23(31)25-19-12-16(21(26)29-14(2)3)11-17(13-19)22(27)30-15(4)5/h7-15H,6H2,1-5H3,(H2,24,25,31)