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

Systemtic Name: 3-butyl-4-oxidanylidene-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: 3-butyl-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:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-3-12-24-19(26)14-9-5-4-8-13(14)17(23-24)18(25)22-20-21-15-10-6-7-11-16(15)27-20/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,21,22,25)