N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[4-[4-(1-acetamidoethyl)phenyl]thiazol-2-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[4-[4-(1-acetamidoethyl)phenyl]-2-thiazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[4-[4-(1-acetamidoethyl)phenyl]thiazol-2-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C(C)NC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C(C)NC(=O)C

InChI

InChI=1S/C25H25N5O3S/c1-4-13-30-24(33)20-8-6-5-7-19(20)22(29-30)23(32)28-25-27-21(14-34-25)18-11-9-17(10-12-18)15(2)26-16(3)31/h5-12,14-15H,4,13H2,1-3H3,(H,26,31)(H,27,28,32)