N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[4-[(1S)-1-methylpropyl]phenyl]thiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H20N4O2S/c1-3-13(2)14-8-10-15(11-9-14)18-12-29-22(23-18)24-21(28)19-16-6-4-5-7-17(16)20(27)26-25-19/h4-13H,3H2,1-2H3,(H,26,27)(H,23,24,28)/t13-/m0/s1