diethyl 2-[(4-propan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[(4-propan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(4-isopropylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-propan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-(p-cumenylthiocarbamoylamino)benzene-1,4-dicarboxylic acid diethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-5-27-20(25)16-9-12-18(21(26)28-6-2)19(13-16)24-22(29)23-17-10-7-15(8-11-17)14(3)4/h7-14H,5-6H2,1-4H3,(H2,23,24,29)