5-(quinolin-3-ylmethylamino)-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 5-(quinolin-3-ylmethylamino)-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-(3-quinolylmethylamino)-N-[2-(2-thienyl)ethyl]benzothiophene-2-carboxamide CAS Name: 5-(3-quinolinylmethylamino)-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-(quinolin-3-ylmethylamino)-N-(2-thiophen-2-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-(3-quinolylmethylamino)-N-[2-(2-thienyl)ethyl]benzothiophene-2-carboxamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC4=C(C=C3)SC(=C4)C(=O)NCCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC4=C(C=C3)SC(=C4)C(=O)NCCC5=CC=CS5

InChI

InChI=1S/C25H21N3OS2/c29-25(26-10-9-21-5-3-11-30-21)24-14-19-13-20(7-8-23(19)31-24)27-15-17-12-18-4-1-2-6-22(18)28-16-17/h1-8,11-14,16,27H,9-10,15H2,(H,26,29)