N-(4-aminophenyl)-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-aminophenyl)-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-aminophenyl)-N-[[3-(4-pyridyl)phenyl]methyl]benzothiophene-2-carboxamide CAS Name: N-(4-aminophenyl)-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-aminophenyl)-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-aminophenyl)-N-[3-(4-pyridyl)benzyl]benzothiophene-2-carboxamide Formula: C27H21N3OS MolecularWeight: 435.54014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)N(CC3=CC=CC(=C3)C4=CC=NC=C4)C5=CC=C(C=C5)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)N(CC3=CC=CC(=C3)C4=CC=NC=C4)C5=CC=C(C=C5)N

InChI

InChI=1S/C27H21N3OS/c28-23-8-10-24(11-9-23)30(27(31)26-17-22-5-1-2-7-25(22)32-26)18-19-4-3-6-21(16-19)20-12-14-29-15-13-20/h1-17H,18,28H2