dipropan-2-yl 5-[(4-bromophenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(4-bromophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(4-bromophenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-bromoanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(4-bromophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-bromophenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O4S/c1-12(2)27-19(25)14-9-15(20(26)28-13(3)4)11-18(10-14)24-21(29)23-17-7-5-16(22)6-8-17/h5-13H,1-4H3,(H2,23,24,29)