dipropan-2-yl 5-[(2,5-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(2,5-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(2,5-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2,5-dimethylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2,5-dimethylphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C23H28N2O4S/c1-13(2)28-21(26)17-10-18(22(27)29-14(3)4)12-19(11-17)24-23(30)25-20-9-15(5)7-8-16(20)6/h7-14H,1-6H3,(H2,24,25,30)