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

Systemtic Name: methyl 3-[2-phenyl-4-[(3-sulfanylphenyl)carbonylamino]phenyl]benzoate Openeye Name: methyl 3-[2-phenyl-4-[(3-sulfanylbenzoyl)amino]phenyl]benzoate CAS Name: 3-[4-[[(3-mercaptophenyl)-oxomethyl]amino]-2-phenylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-phenyl-4-[(3-sulfanylbenzoyl)amino]phenyl]benzoate Traditional Name: 3-[4-[(3-mercaptobenzoyl)amino]-2-phenyl-phenyl]benzoic acid methyl ester Formula: C27H21NO3S MolecularWeight: 439.52554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21NO3S/c1-31-27(30)21-11-5-9-19(15-21)24-14-13-22(17-25(24)18-7-3-2-4-8-18)28-26(29)20-10-6-12-23(32)16-20/h2-17,32H,1H3,(H,28,29)