2-ethanoyl-3-[(4-methylphenyl)amino]-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one

Systemtic Name: 2-ethanoyl-3-[(4-methylphenyl)amino]-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one Openeye Name: 2-acetyl-3-(4-methylanilino)-4-(2-nitrophenyl)sulfanyl-isoquinolin-1-one CAS Name: 2-acetyl-3-(4-methylanilino)-4-[(2-nitrophenyl)thio]-1-isoquinolinone IUPAC Name: 2-acetyl-3-(4-methylanilino)-4-(2-nitrophenyl)sulfanylisoquinolin-1-one Traditional Name: 2-acetyl-4-[(2-nitrophenyl)thio]-3-(p-toluidino)isocarbostyril Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2C(=O)C)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2C(=O)C)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H19N3O4S/c1-15-11-13-17(14-12-15)25-23-22(32-21-10-6-5-9-20(21)27(30)31)18-7-3-4-8-19(18)24(29)26(23)16(2)28/h3-14,25H,1-2H3