4-oxidanylidene-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide CAS Name: 4-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propyl-1-phthalazinecarboxamide IUPAC Name: 4-oxo-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-propyl-phthalazine-1-carboxamide Formula: C25H20N4O3S MolecularWeight: 456.5163

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O3S/c1-2-14-29-24(31)19-11-7-6-10-18(19)22(28-29)23(30)27-25-26-20-13-12-17(15-21(20)33-25)32-16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,26,27,30)