N-isoquinolin-3-yl-5-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

Systemtic Name: N-isoquinolin-3-yl-5-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide Openeye Name: N-(3-isoquinolyl)-5-(4-pyridylmethylsulfanyl)thiophene-2-carboxamide CAS Name: N-(3-isoquinolinyl)-5-(pyridin-4-ylmethylthio)-2-thiophenecarboxamide IUPAC Name: N-isoquinolin-3-yl-5-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide Traditional Name: N-(3-isoquinolyl)-5-(4-pyridylmethylthio)thiophene-2-carboxamide Formula: C20H15N3OS2 MolecularWeight: 377.4826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=C(S3)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C=NC(=CC2=C1)NC(=O)C3=CC=C(S3)SCC4=CC=NC=C4

InChI

InChI=1S/C20H15N3OS2/c24-20(23-18-11-15-3-1-2-4-16(15)12-22-18)17-5-6-19(26-17)25-13-14-7-9-21-10-8-14/h1-12H,13H2,(H,22,23,24)