3-azanyl-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]isoquinolin-1-one Openeye Name: 3-amino-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]isoquinolin-1-one CAS Name: 3-amino-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]-1-isoquinolinone IUPAC Name: 3-amino-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]isoquinolin-1-one Traditional Name: 3-amino-4-(1,3-benzothiazol-2-yl)-7-nitro-2-[(1R)-1-phenylethyl]isocarbostyril Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N

InChI

InChI=1S/C24H18N4O3S/c1-14(15-7-3-2-4-8-15)27-22(25)21(23-26-19-9-5-6-10-20(19)32-23)17-12-11-16(28(30)31)13-18(17)24(27)29/h2-14H,25H2,1H3/t14-/m1/s1