4-(4-acetamidophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide

Systemtic Name: 4-(4-acetamidophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Openeye Name: 4-(4-acetamidophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide CAS Name: 4-(4-acetamidophenyl)-N-butyl-1-methyl-6-(methylthio)-1H-phthalazine-2-carboxamide IUPAC Name: 4-(4-acetamidophenyl)-N-butyl-1-methyl-6-methylsulfanyl-1H-phthalazine-2-carboxamide Traditional Name: 4-(4-acetamidophenyl)-N-butyl-1-methyl-6-(methylthio)-1H-phthalazine-2-carboxamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCCCNC(=O)N1C(C2=C(C=C(C=C2)SC)C(=N1)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C23H28N4O2S/c1-5-6-13-24-23(29)27-15(2)20-12-11-19(30-4)14-21(20)22(26-27)17-7-9-18(10-8-17)25-16(3)28/h7-12,14-15H,5-6,13H2,1-4H3,(H,24,29)(H,25,28)