3-[3-[[(2-azanyl-3-sulfanyl-propyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[(2-azanyl-3-sulfanyl-propyl)amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[(2-amino-3-sulfanyl-propyl)amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[(2-amino-3-mercaptopropyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[(2-amino-3-sulfanylpropyl)amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[(2-amino-3-mercapto-propyl)amino]methyl]phenyl]benzoic acid Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNCC(CS)N)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CNCC(CS)N)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O2S/c18-16(11-22)10-19-9-12-3-1-4-13(7-12)14-5-2-6-15(8-14)17(20)21/h1-8,16,19,22H,9-11,18H2,(H,20,21)