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

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-(3-methyl-1,3-benzothiazol-2-ylidene)phthalazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N4O2S/c1-13(2)12-25-20(27)15-9-5-4-8-14(15)18(23-25)19(26)22-21-24(3)16-10-6-7-11-17(16)28-21/h4-11,13H,12H2,1-3H3