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

Systemtic Name: methyl 3-[(2-naphthalen-1-ylethanoylamino)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[[2-(1-naphthyl)acetyl]amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-naphthalen-1-ylacetyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O4S MolecularWeight: 421.46896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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