4-[2-(5-methoxyisoquinolin-1-yl)sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-(5-methoxyisoquinolin-1-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[(5-methoxy-1-isoquinolyl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(5-methoxy-1-isoquinolinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(5-methoxyisoquinolin-1-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(5-methoxy-1-isoquinolyl)thio]acetyl]amino]benzamide Formula: C19H17N3O3S MolecularWeight: 367.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=CC2=C1C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C19H17N3O3S/c1-25-16-4-2-3-15-14(16)9-10-21-19(15)26-11-17(23)22-13-7-5-12(6-8-13)18(20)24/h2-10H,11H2,1H3,(H2,20,24)(H,22,23)