N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(2,4-dipropoxyphenyl)-6-iodo-4-keto-1,2-dihydroquinazolin-3-yl]-piperonylamide Formula: C28H28IN3O6 MolecularWeight: 629.44289

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC5=C(C=C4)OCO5)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)[C@H]2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC5=C(C=C4)OCO5)OCCC

InChI

InChI=1S/C28H28IN3O6/c1-3-11-35-19-7-8-20(24(15-19)36-12-4-2)26-30-22-9-6-18(29)14-21(22)28(34)32(26)31-27(33)17-5-10-23-25(13-17)38-16-37-23/h5-10,13-15,26,30H,3-4,11-12,16H2,1-2H3,(H,31,33)/t26-/m0/s1