ethyl 3-(tert-butylcarbamothioylamino)-4-chloranyl-benzoate

Systemtic Name: ethyl 3-(tert-butylcarbamothioylamino)-4-chloranyl-benzoate Openeye Name: ethyl 3-(tert-butylcarbamothioylamino)-4-chloro-benzoate CAS Name: 3-[[(tert-butylamino)-sulfanylidenemethyl]amino]-4-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 3-(tert-butylcarbamothioylamino)-4-chlorobenzoate Traditional Name: 3-(tert-butylthiocarbamoylamino)-4-chloro-benzoic acid ethyl ester Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2S/c1-5-19-12(18)9-6-7-10(15)11(8-9)16-13(20)17-14(2,3)4/h6-8H,5H2,1-4H3,(H2,16,17,20)