dipropan-2-yl 5-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(p-tolylmethylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-methylphenyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-methylbenzyl)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)CNC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-14(2)28-21(26)18-10-19(22(27)29-15(3)4)12-20(11-18)25-23(30)24-13-17-8-6-16(5)7-9-17/h6-12,14-15H,13H2,1-5H3,(H2,24,25,30)