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

Systemtic Name: dipropan-2-yl 5-[(2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(o-tolylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methylanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2-methylphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-(o-tolylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-13(2)27-20(25)16-10-17(21(26)28-14(3)4)12-18(11-16)23-22(29)24-19-9-7-6-8-15(19)5/h6-14H,1-5H3,(H2,23,24,29)