methyl 2-[(phenylcarbamothioylamino)carbamoyl]benzoate

Systemtic Name: methyl 2-[(phenylcarbamothioylamino)carbamoyl]benzoate Openeye Name: methyl 2-[(phenylcarbamothioylamino)carbamoyl]benzoate CAS Name: 2-[[[anilino(sulfanylidene)methyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(phenylcarbamothioylamino)carbamoyl]benzoate Traditional Name: 2-[(phenylthiocarbamoylamino)carbamoyl]benzoic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-22-15(21)13-10-6-5-9-12(13)14(20)18-19-16(23)17-11-7-3-2-4-8-11/h2-10H,1H3,(H,18,20)(H2,17,19,23)