methyl 3-(tert-butylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(tert-butylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(tert-butylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(tert-butylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(tert-butylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(tert-butylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-14(2,3)16-13(20)15-11(17)9-6-5-7-10(8-9)12(18)19-4/h5-8H,1-4H3,(H2,15,16,17,20)