3-chloranyl-N-[(2-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(2-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(2-phenylphenyl)methyl]-N-(3-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(2-phenylphenyl)methyl]-N-(3-pyridinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(2-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-phenylbenzyl)-N-(3-pyridylmethyl)benzothiophene-2-carboxamide Formula: C28H21ClN2OS MolecularWeight: 468.99714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2CN(CC3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CN(CC3=CN=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C28H21ClN2OS/c29-26-24-14-6-7-15-25(24)33-27(26)28(32)31(18-20-9-8-16-30-17-20)19-22-12-4-5-13-23(22)21-10-2-1-3-11-21/h1-17H,18-19H2