methyl 3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]benzoate

Systemtic Name: methyl 3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]phenyl]benzoate Openeye Name: methyl 3-[4-[(2-amino-3-sulfanyl-propyl)amino]phenyl]benzoate CAS Name: 3-[4-[(2-amino-3-mercaptopropyl)amino]phenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-amino-3-sulfanylpropyl)amino]phenyl]benzoate Traditional Name: 3-[4-[(2-amino-3-mercapto-propyl)amino]phenyl]benzoic acid methyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-21-17(20)14-4-2-3-13(9-14)12-5-7-16(8-6-12)19-10-15(18)11-22/h2-9,15,19,22H,10-11,18H2,1H3