3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-thiophene-2-carboxamide

Systemtic Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-yl-thiophene-2-carboxamide Openeye Name: 3-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(3-isoquinolyl)thiophene-2-carboxamide CAS Name: 3-[(2-acetamido-4-pyridinyl)methylthio]-N-(3-isoquinolinyl)-2-thiophenecarboxamide IUPAC Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-isoquinolin-3-ylthiophene-2-carboxamide Traditional Name: 3-[(2-acetamido-4-pyridyl)methylthio]-N-(3-isoquinolyl)thiophene-2-carboxamide Formula: C22H18N4O2S2 MolecularWeight: 434.53392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C22H18N4O2S2/c1-14(27)25-19-10-15(6-8-23-19)13-30-18-7-9-29-21(18)22(28)26-20-11-16-4-2-3-5-17(16)12-24-20/h2-12H,13H2,1H3,(H,23,25,27)(H,24,26,28)