dimethyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[(4-sec-butylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(4-sec-butylphenyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-5-13(2)14-6-9-16(10-7-14)22-21(28)23-18-12-15(19(24)26-3)8-11-17(18)20(25)27-4/h6-13H,5H2,1-4H3,(H2,22,23,28)