methyl 3-[(2-naphthalen-1-yloxyethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2-naphthalen-1-yloxyethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(1-naphthyloxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(1-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(1-naphthoxy)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H19N3O5S/c1-29-21(28)16-9-4-8-15(12-16)20(27)23-22(31)25-24-19(26)13-30-18-11-5-7-14-6-2-3-10-17(14)18/h2-12H,13H2,1H3,(H,24,26)(H2,23,25,27,31)