3-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(2-naphthalen-1-ylethanoylcarbamothioylamino)benzoic acid Openeye Name: 3-[[2-(1-naphthyl)acetyl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]benzoic acid Traditional Name: 3-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]benzoic acid Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H16N2O3S/c23-18(12-14-7-3-6-13-5-1-2-10-17(13)14)22-20(26)21-16-9-4-8-15(11-16)19(24)25/h1-11H,12H2,(H,24,25)(H2,21,22,23,26)