methyl 4-(butanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(butanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(butanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(butanoylcarbamothioylamino)benzoate Traditional Name: 4-(butyrylthiocarbamoylamino)benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-3-4-11(16)15-13(19)14-10-7-5-9(6-8-10)12(17)18-2/h5-8H,3-4H2,1-2H3,(H2,14,15,16,19)