2-azanyl-4-isoquinolin-5-ylsulfanyl-N-(3-nitrophenyl)butanamide

Systemtic Name: 2-azanyl-4-isoquinolin-5-ylsulfanyl-N-(3-nitrophenyl)butanamide Openeye Name: 2-amino-4-(5-isoquinolylsulfanyl)-N-(3-nitrophenyl)butanamide CAS Name: 2-amino-4-(5-isoquinolinylthio)-N-(3-nitrophenyl)butanamide IUPAC Name: 2-amino-4-isoquinolin-5-ylsulfanyl-N-(3-nitrophenyl)butanamide Traditional Name: 2-amino-4-(5-isoquinolylthio)-N-(3-nitrophenyl)butyramide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(CCSC2=CC=CC3=C2C=CN=C3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(CCSC2=CC=CC3=C2C=CN=C3)N

InChI

InChI=1S/C19H18N4O3S/c20-17(19(24)22-14-4-2-5-15(11-14)23(25)26)8-10-27-18-6-1-3-13-12-21-9-7-16(13)18/h1-7,9,11-12,17H,8,10,20H2,(H,22,24)