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

Systemtic Name: dipropan-2-yl 5-[(2-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(2-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2-methoxyphenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methoxyphenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2OC)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=CC=CC=C2OC)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O5S/c1-13(2)28-20(25)15-10-16(21(26)29-14(3)4)12-17(11-15)23-22(30)24-18-8-6-7-9-19(18)27-5/h6-14H,1-5H3,(H2,23,24,30)