3-[3-[(2-azanyl-3-sulfanyl-propyl)amino]phenoxy]benzoic acid dihydrochloride

Systemtic Name: 3-[3-[(2-azanyl-3-sulfanyl-propyl)amino]phenoxy]benzoic acid dihydrochloride Openeye Name: 3-[3-[(2-amino-3-sulfanyl-propyl)amino]phenoxy]benzoic acid dihydrochloride CAS Name: 3-[3-[(2-amino-3-mercaptopropyl)amino]phenoxy]benzoic acid dihydrochloride IUPAC Name: 3-[3-[(2-amino-3-sulfanylpropyl)amino]phenoxy]benzoic acid dihydrochloride Traditional Name: 3-[3-[(2-amino-3-mercapto-propyl)amino]phenoxy]benzoic acid dihydrochloride Formula: C16H20Cl2N2O3S MolecularWeight: 391.3126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=CC(=C2)NCC(CS)N)C(=O)O.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=CC(=C2)NCC(CS)N)C(=O)O.Cl.Cl

InChI

InChI=1S/C16H18N2O3S.2ClH/c17-12(10-22)9-18-13-4-2-6-15(8-13)21-14-5-1-3-11(7-14)16(19)20;;/h1-8,12,18,22H,9-10,17H2,(H,19,20);2*1H