N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4O2S/c1-15(2)29-25(31)19-11-4-3-10-18(19)22(28-29)23(30)26-17-9-7-8-16(14-17)24-27-20-12-5-6-13-21(20)32-24/h3-15H,1-2H3,(H,26,30)