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

Systemtic Name: 3-ethyl-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-ethyl-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Traditional Name: N-allyl-3-ethyl-4-keto-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phthalazine-1-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CC=C)C3=NC4=C(S3)CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-3-13-24(21-22-16-11-7-8-12-17(16)28-21)20(27)18-14-9-5-6-10-15(14)19(26)25(4-2)23-18/h3,5-6,9-10H,1,4,7-8,11-13H2,2H3