N,N-dibutyl-2-[6-iodanyl-3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dibutyl-2-[6-iodanyl-3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N,N-dibutyl-2-[6-iodo-3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N,N-dibutyl-2-[[6-iodo-3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N,N-dibutyl-2-[6-iodo-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N,N-dibutyl-2-[[6-iodo-4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H30IN3O3S MolecularWeight: 579.49347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCN(CCCC)C(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H30IN3O3S/c1-4-6-13-28(14-7-5-2)23(30)17-33-25-27-22-12-11-18(26)15-21(22)24(31)29(25)19-9-8-10-20(16-19)32-3/h8-12,15-16H,4-7,13-14,17H2,1-3H3