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

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(3-methyl-1,3-benzothiazol-2-ylidene)phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C22H22N4O2S/c1-3-4-9-14-26-21(28)16-11-6-5-10-15(16)19(24-26)20(27)23-22-25(2)17-12-7-8-13-18(17)29-22/h5-8,10-13H,3-4,9,14H2,1-2H3