methyl 3-[2-phenyl-4-[(4-sulfanylphenyl)methylamino]phenyl]benzoate

Systemtic Name: methyl 3-[2-phenyl-4-[(4-sulfanylphenyl)methylamino]phenyl]benzoate Openeye Name: methyl 3-[2-phenyl-4-[(4-sulfanylphenyl)methylamino]phenyl]benzoate CAS Name: 3-[4-[(4-mercaptophenyl)methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-phenyl-4-[(4-sulfanylphenyl)methylamino]phenyl]benzoate Traditional Name: 3-[4-[(4-mercaptobenzyl)amino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C27H23NO2S MolecularWeight: 425.54202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CC=C(C=C3)S)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=C(C=C(C=C2)NCC3=CC=C(C=C3)S)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO2S/c1-30-27(29)22-9-5-8-21(16-22)25-15-12-23(17-26(25)20-6-3-2-4-7-20)28-18-19-10-13-24(31)14-11-19/h2-17,28,31H,18H2,1H3