N-(8-nitroisoquinolin-5-yl)sulfanyl-N-phenyl-propanamide

Systemtic Name: N-(8-nitroisoquinolin-5-yl)sulfanyl-N-phenyl-propanamide Openeye Name: N-[(8-nitro-5-isoquinolyl)sulfanyl]-N-phenyl-propanamide CAS Name: N-[(8-nitro-5-isoquinolinyl)thio]-N-phenylpropanamide IUPAC Name: N-(8-nitroisoquinolin-5-yl)sulfanyl-N-phenylpropanamide Traditional Name: N-[(8-nitro-5-isoquinolyl)thio]-N-phenyl-propionamide Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)SC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O3S/c1-2-18(22)20(13-6-4-3-5-7-13)25-17-9-8-16(21(23)24)15-12-19-11-10-14(15)17/h3-12H,2H2,1H3