3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]benzoic acid

Systemtic Name: 3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]benzoic acid Openeye Name: 3-[4-[(2-amino-3-sulfanyl-propyl)amino]phenyl]benzoic acid CAS Name: 3-[4-[(2-amino-3-mercaptopropyl)amino]phenyl]benzoic acid IUPAC Name: 3-[4-[(2-amino-3-sulfanylpropyl)amino]phenyl]benzoic acid Traditional Name: 3-[4-[(2-amino-3-mercapto-propyl)amino]phenyl]benzoic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2S/c17-14(10-21)9-18-15-6-4-11(5-7-15)12-2-1-3-13(8-12)16(19)20/h1-8,14,18,21H,9-10,17H2,(H,19,20)