4-(3,4-diethoxyphenyl)-2-(4-thiomorpholin-4-ylcarbonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-(4-thiomorpholin-4-ylcarbonylphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[oxo(thiomorpholin-4-yl)methyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-(thiomorpholine-4-carbonyl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCSCC5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCSCC5)OCC

InChI

InChI=1S/C29H33N3O4S/c1-3-35-25-14-11-21(19-26(25)36-4-2)27-23-7-5-6-8-24(23)29(34)32(30-27)22-12-9-20(10-13-22)28(33)31-15-17-37-18-16-31/h5-6,9-14,19,23-24H,3-4,7-8,15-18H2,1-2H3