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

Systemtic Name: dipropan-2-yl 5-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(4-sec-butylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-butan-2-ylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-sec-butylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-7-17(6)18-8-10-21(11-9-18)26-25(32)27-22-13-19(23(28)30-15(2)3)12-20(14-22)24(29)31-16(4)5/h8-17H,7H2,1-6H3,(H2,26,27,32)