3-(2-methylpropyl)-4-oxidanylidene-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-12(2)11-24-19(26)14-8-4-3-7-13(14)17(23-24)18(25)22-20-21-15-9-5-6-10-16(15)27-20/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,21,22,25)