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

Systemtic Name: dipropan-2-yl 5-(butylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-(butylcarbamothioylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[butylamino(sulfanylidene)methyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-(butylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(butylthiocarbamoylamino)benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC(=CC(=C1)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CCCCNC(=S)NC1=CC(=CC(=C1)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C19H28N2O4S/c1-6-7-8-20-19(26)21-16-10-14(17(22)24-12(2)3)9-15(11-16)18(23)25-13(4)5/h9-13H,6-8H2,1-5H3,(H2,20,21,26)