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

Systemtic Name: methyl 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoate Openeye Name: methyl 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoate CAS Name: 3-[4-[(3-mercaptophenyl)methylamino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-phenyl-4-[(3-sulfanylphenyl)methylamino]phenyl]benzoate Traditional Name: 3-[4-[(3-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(=CC=C3)S)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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