N-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(2-thienylmethyl)-3H-phthalazine-1-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(2-thenyl)-N-veratryl-3H-phthalazine-1-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CS2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CS2)C(=O)C3=NNC(=O)C4=CC=CC=C43)OC

InChI

InChI=1S/C23H21N3O4S/c1-29-19-10-9-15(12-20(19)30-2)13-26(14-16-6-5-11-31-16)23(28)21-17-7-3-4-8-18(17)22(27)25-24-21/h3-12H,13-14H2,1-2H3,(H,25,27)