4-phenyl-N-[(4-phenylphenyl)carbonyl-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 4-phenyl-N-[(4-phenylphenyl)carbonyl-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-phenyl-N-[(4-phenylbenzoyl)-(3-pyridylmethyl)carbamothioyl]-N-(3-pyridylmethyl)benzamide CAS Name: N-[[[oxo-(4-phenylphenyl)methyl]-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]-4-phenyl-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-phenyl-N-[(4-phenylbenzoyl)-(3-pyridylmethyl)thiocarbamoyl]-N-(3-pyridylmethyl)benzamide Formula: C39H30N4O2S MolecularWeight: 618.7461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H30N4O2S/c44-37(35-19-15-33(16-20-35)31-11-3-1-4-12-31)42(27-29-9-7-23-40-25-29)39(46)43(28-30-10-8-24-41-26-30)38(45)36-21-17-34(18-22-36)32-13-5-2-6-14-32/h1-26H,27-28H2