diethyl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-ethoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(p-phenetylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-4-26-18-9-7-16(8-10-18)22-21(29)23-17-12-14(19(24)27-5-2)11-15(13-17)20(25)28-6-3/h7-13H,4-6H2,1-3H3,(H2,22,23,29)