diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-sec-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-sec-butylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-5-15(4)16-8-10-19(11-9-16)24-23(30)25-20-13-17(21(26)28-6-2)12-18(14-20)22(27)29-7-3/h8-15H,5-7H2,1-4H3,(H2,24,25,30)