4-[(naphthalen-1-ylcarbamothioylamino)methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O2S/c22-18(23)15-10-8-13(9-11-15)12-20-19(24)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-11H,12H2,(H,22,23)(H2,20,21,24)