methyl 3-(carbamothioylamino)-4-oxidanyl-benzoate

Systemtic Name: methyl 3-(carbamothioylamino)-4-oxidanyl-benzoate Openeye Name: methyl 3-(carbamothioylamino)-4-hydroxy-benzoate CAS Name: 3-(carbamothioylamino)-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-(carbamothioylamino)-4-hydroxybenzoate Traditional Name: 4-hydroxy-3-thioureido-benzoic acid methyl ester Formula: C9H10N2O3S MolecularWeight: 226.2523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)NC(=S)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)NC(=S)N

InChI

InChI=1S/C9H10N2O3S/c1-14-8(13)5-2-3-7(12)6(4-5)11-9(10)15/h2-4,12H,1H3,(H3,10,11,15)