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

Systemtic Name: 4-[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]benzoic acid Openeye Name: 4-[4-[(2-amino-3-sulfanyl-propyl)amino]phenyl]benzoic acid CAS Name: 4-[4-[(2-amino-3-mercaptopropyl)amino]phenyl]benzoic acid IUPAC Name: 4-[4-[(2-amino-3-sulfanylpropyl)amino]phenyl]benzoic acid Traditional Name: 4-[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=C1C2=CC=C(C=C2)NCC(CS)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NCC(CS)N)C(=O)O

InChI

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