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

Systemtic Name: ethyl 4-(3,3-dimethylbutan-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,2,2-trimethylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3,3-dimethylbutan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(1,2,2-trimethylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2S/c1-6-20-14(19)12-7-9-13(10-8-12)18-15(21)17-11(2)16(3,4)5/h7-11H,6H2,1-5H3,(H2,17,18,21)