methyl 3-[(5-methyl-2-oxidanyl-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(5-methyl-2-oxidanyl-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2-hydroxy-5-methyl-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxy-5-methylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2-hydroxy-5-methyl-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C17H16N2O4S/c1-10-6-7-14(20)13(8-10)18-17(24)19-15(21)11-4-3-5-12(9-11)16(22)23-2/h3-9,20H,1-2H3,(H2,18,19,21,24)