dipropan-2-yl 5-(1-phenylethylcarbamothioylamino)benzene-1,3-dicarboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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