3-[(4-methoxyphenyl)amino]-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one

Systemtic Name: 3-[(4-methoxyphenyl)amino]-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Openeye Name: 3-(4-methoxyanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one CAS Name: 3-(4-methoxyanilino)-4-[(2-nitrophenyl)thio]-2H-isoquinolin-1-one IUPAC Name: 3-(4-methoxyanilino)-4-(2-nitrophenyl)sulfanyl-2H-isoquinolin-1-one Traditional Name: 4-[(2-nitrophenyl)thio]-3-(p-anisidino)isocarbostyril Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-29-15-12-10-14(11-13-15)23-21-20(16-6-2-3-7-17(16)22(26)24-21)30-19-9-5-4-8-18(19)25(27)28/h2-13H,1H3,(H2,23,24,26)