N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[4-(4-butylphenyl)thiazol-2-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-butylphenyl)-2-thiazolyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-butylphenyl)-1,3-thiazol-2-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[4-(4-butylphenyl)thiazol-2-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H22N4O2S/c1-3-4-7-15-10-12-16(13-11-15)19-14-30-23(24-19)25-21(28)20-17-8-5-6-9-18(17)22(29)27(2)26-20/h5-6,8-14H,3-4,7H2,1-2H3,(H,24,25,28)