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

Systemtic Name: diethyl 5-[(4-propan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(4-isopropylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-propan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(p-cumenylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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