methyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-naphthalen-2-yloxyethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[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=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

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

InChI

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