methyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(2-naphthalen-1-ylethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[[2-(1-naphthyl)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H19N3O4S/c1-29-21(28)16-11-9-15(10-12-16)20(27)23-22(30)25-24-19(26)13-17-7-4-6-14-5-2-3-8-18(14)17/h2-12H,13H2,1H3,(H,24,26)(H2,23,25,27,30)