3-azanyl-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one Openeye Name: 3-amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one CAS Name: 3-amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1-isoquinolinone IUPAC Name: 3-amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one Traditional Name: 3-amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isocarbostyril Formula: C24H15F3N4O4S MolecularWeight: 512.46051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(S4)C=CC(=C5)C(F)(F)F)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(S4)C=CC(=C5)C(F)(F)F)N

InChI

InChI=1S/C24H15F3N4O4S/c1-35-15-4-2-3-13(10-15)30-21(28)20(16-7-6-14(31(33)34)11-17(16)23(30)32)22-29-18-9-12(24(25,26)27)5-8-19(18)36-22/h2-11H,28H2,1H3