methyl 3-[(2-phenylethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-phenylethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(2-phenylacetyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-phenylacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(2-phenylacetyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H17N3O4S/c1-25-17(24)14-9-5-8-13(11-14)16(23)19-18(26)21-20-15(22)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,20,22)(H2,19,21,23,26)