N-(2-aminophenyl)-5-[bis(pyridin-2-ylmethyl)amino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-5-[bis(pyridin-2-ylmethyl)amino]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-5-[bis(2-pyridylmethyl)amino]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-5-[bis(2-pyridinylmethyl)amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-5-[bis(pyridin-2-ylmethyl)amino]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-5-[bis(2-pyridylmethyl)amino]benzothiophene-2-carboxamide Formula: C27H23N5OS MolecularWeight: 465.56942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C(=C1)N)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(CC4=CC=CC=N4)CC5=CC=CC=N5

InChI

InChI=1S/C27H23N5OS/c28-23-9-1-2-10-24(23)31-27(33)26-16-19-15-22(11-12-25(19)34-26)32(17-20-7-3-5-13-29-20)18-21-8-4-6-14-30-21/h1-16H,17-18,28H2,(H,31,33)