3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitro-isoquinolin-1-one

Systemtic Name: 3-azanyl-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitro-isoquinolin-1-one Openeye Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitro-isoquinolin-1-one CAS Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitro-1-isoquinolinone IUPAC Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitroisoquinolin-1-one Traditional Name: 3-amino-2-(1,3-benzothiazol-2-yl)-4-(3,4-dichlorophenyl)-7-nitro-isocarbostyril Formula: C22H12Cl2N4O3S MolecularWeight: 483.32668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC(=C(C=C5)Cl)Cl)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC(=C(C=C5)Cl)Cl)N

InChI

InChI=1S/C22H12Cl2N4O3S/c23-15-8-5-11(9-16(15)24)19-13-7-6-12(28(30)31)10-14(13)21(29)27(20(19)25)22-26-17-3-1-2-4-18(17)32-22/h1-10H,25H2