methyl 4-(butan-2-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(butan-2-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(sec-butylcarbamothioylamino)benzoate CAS Name: 4-[[(butan-2-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(butan-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(sec-butylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-4-9(2)14-13(18)15-11-7-5-10(6-8-11)12(16)17-3/h5-9H,4H2,1-3H3,(H2,14,15,18)