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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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