methyl 4-(propanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(propanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(propanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(propanoylcarbamothioylamino)benzoate Traditional Name: 4-(propionylthiocarbamoylamino)benzoic acid methyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-3-10(15)14-12(18)13-9-6-4-8(5-7-9)11(16)17-2/h4-7H,3H2,1-2H3,(H2,13,14,15,18)