4-oxidanylidene-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[(Z)-1-(2-thienyl)propylideneamino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[(Z)-1-thiophen-2-ylpropylideneamino]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[(Z)-1-thiophen-2-ylpropylideneamino]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(Z)-1-(2-thienyl)propylideneamino]phthalazine-1-carboxamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC/C(=N/NC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3)/C4=CC=CS4

InChI

InChI=1S/C23H20N4O2S/c1-2-19(20-13-8-14-30-20)24-25-22(28)21-17-11-6-7-12-18(17)23(29)27(26-21)15-16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,25,28)/b24-19-