N-(2-azanyl-4-isoquinolin-5-ylsulfanyl-5-nitro-phenyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1N)SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1N)SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O3S/c1-2-4-19(24)22-15-10-16(23(25)26)18(9-14(15)20)27-17-6-3-5-12-11-21-8-7-13(12)17/h3,5-11H,2,4,20H2,1H3,(H,22,24)