methyl 4-(2-tert-butylsulfanylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-tert-butylsulfanylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2-tert-butylsulfanylethylcarbamothioylamino)benzoate CAS Name: 4-[[[2-(tert-butylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-tert-butylsulfanylethylcarbamothioylamino)benzoate Traditional Name: 4-[2-(tert-butylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S2/c1-15(2,3)21-10-9-16-14(20)17-12-7-5-11(6-8-12)13(18)19-4/h5-8H,9-10H2,1-4H3,(H2,16,17,20)