3-(2-methylpropyl)-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-N-[(1S)-2-methyl-1-thiophen-2-yl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1S)-2-methyl-1-(2-thienyl)propyl]phthalazine-1-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(C3=CC=CS3)C(C)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](C3=CC=CS3)C(C)C

InChI

InChI=1S/C21H25N3O2S/c1-13(2)12-24-21(26)16-9-6-5-8-15(16)19(23-24)20(25)22-18(14(3)4)17-10-7-11-27-17/h5-11,13-14,18H,12H2,1-4H3,(H,22,25)/t18-/m0/s1