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

Systemtic Name: 3-methyl-4-oxidanylidene-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Openeye Name: N-allyl-3-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: N-allyl-4-keto-3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

InChI

InChI=1S/C20H20N4O2S/c1-3-12-24(20-21-15-10-6-7-11-16(15)27-20)19(26)17-13-8-4-5-9-14(13)18(25)23(2)22-17/h3-5,8-9H,1,6-7,10-12H2,2H3