N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-isobutyl-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-isobutyl-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S/c1-14(2)12-26-21(27)16-9-5-4-8-15(16)20(24-26)22(28)25(3)13-19-23-17-10-6-7-11-18(17)29-19/h4-11,14H,12-13H2,1-3H3