dimethyl 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-tert-butylbenzoyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-22(2,3)16-8-6-13(7-9-16)18(25)24-21(30)23-17-11-14(19(26)28-4)10-15(12-17)20(27)29-5/h6-12H,1-5H3,(H2,23,24,25,30)