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

Systemtic Name: methyl 3-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(2-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=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

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