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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H28N2O4S/c1-4-7-8-16-9-11-19(12-10-16)24-23(30)25-20-14-17(21(26)28-5-2)13-18(15-20)22(27)29-6-3/h9-15H,4-8H2,1-3H3,(H2,24,25,30)