N-[(Z)-1-(5-azanyl-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(5-azanyl-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-(3-methylbutyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(5-amino-3-methyl-isothiazol-4-yl)ethylideneamino]-3-isopentyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(5-amino-3-methyl-4-isothiazolyl)ethylideneamino]-3-(3-methylbutyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide Traditional Name: N-[(Z)-1-(5-amino-3-methyl-isothiazol-4-yl)ethylideneamino]-3-isoamyl-4-keto-phthalazine-1-carboxamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)C)N

Isomeric SMILES

CC1=NSC(=C1/C(=N\NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C)/C)N

InChI

InChI=1S/C20H24N6O2S/c1-11(2)9-10-26-20(28)15-8-6-5-7-14(15)17(24-26)19(27)23-22-12(3)16-13(4)25-29-18(16)21/h5-8,11H,9-10,21H2,1-4H3,(H,23,27)/b22-12-