4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoic acid

Systemtic Name: 4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoic acid Openeye Name: 4-methyl-3-(1-naphthylcarbamothioylamino)benzoic acid CAS Name: 4-methyl-3-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-(naphthalen-1-ylcarbamothioylamino)benzoic acid Traditional Name: 4-methyl-3-(1-naphthylthiocarbamoylamino)benzoic acid Formula: C19H16N2O2S MolecularWeight: 336.40754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C19H16N2O2S/c1-12-9-10-14(18(22)23)11-17(12)21-19(24)20-16-8-4-6-13-5-2-3-7-15(13)16/h2-11H,1H3,(H,22,23)(H2,20,21,24)