methyl 4-(3,3-dimethylbutan-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(3,3-dimethylbutan-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1,2,2-trimethylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3,3-dimethylbutan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,2,2-trimethylpropylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H22N2O2S MolecularWeight: 294.41238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S/c1-10(15(2,3)4)16-14(20)17-12-8-6-11(7-9-12)13(18)19-5/h6-10H,1-5H3,(H2,16,17,20)