4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enyl-amino]ethyl]phthalazine-1-carboxamide Openeye Name: 3-[2-[allyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[(4-phenyl-2-thiazolyl)-prop-2-enylamino]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl]phthalazine-1-carboxamide Traditional Name: 3-[2-[allyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C=CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C23H19N5O3S/c1-2-12-27(23-25-18(14-32-23)15-8-4-3-5-9-15)19(29)13-28-22(31)17-11-7-6-10-16(17)20(26-28)21(24)30/h2-11,14H,1,12-13H2,(H2,24,30)