diethyl 5-[(3-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3-ethanoylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(3-acetylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-acetylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-acetylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC(=C2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S/c1-4-27-19(25)15-9-16(20(26)28-5-2)12-18(11-15)23-21(29)22-17-8-6-7-14(10-17)13(3)24/h6-12H,4-5H2,1-3H3,(H2,22,23,29)