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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NCC2=CC=CC=C2)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O4S/c1-14(2)27-20(25)17-10-18(21(26)28-15(3)4)12-19(11-17)24-22(29)23-13-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H2,23,24,29)