N-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-pyridin-2-yl]-1-phenyl-propane-1,3-diamine

Systemtic Name: N-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-pyridin-2-yl]-1-phenyl-propane-1,3-diamine Openeye Name: N-[5-(benzothiophen-2-yl)-6-(4-pyridyl)-2-pyridyl]-1-phenyl-propane-1,3-diamine CAS Name: N-[5-(1-benzothiophen-2-yl)-6-pyridin-4-yl-2-pyridinyl]-1-phenylpropane-1,3-diamine IUPAC Name: N-[5-(1-benzothiophen-2-yl)-6-pyridin-4-ylpyridin-2-yl]-1-phenylpropane-1,3-diamine Traditional Name: (3-amino-1-phenyl-propyl)-[5-(benzothiophen-2-yl)-6-(4-pyridyl)-2-pyridyl]amine Formula: C27H24N4S MolecularWeight: 436.57126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)NC2=NC(=C(C=C2)C3=CC4=CC=CC=C4S3)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)NC2=NC(=C(C=C2)C3=CC4=CC=CC=C4S3)C5=CC=NC=C5

InChI

InChI=1S/C27H24N4S/c28-15-12-23(19-6-2-1-3-7-19)30-26-11-10-22(27(31-26)20-13-16-29-17-14-20)25-18-21-8-4-5-9-24(21)32-25/h1-11,13-14,16-18,23H,12,15,28H2,(H,30,31)