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

Systemtic Name: N,N-dibutyl-2-[6-iodanyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-(3-benzyl-6-iodo-4-oxo-quinazolin-2-yl)sulfanyl-N,N-dibutyl-propanamide CAS Name: N,N-dibutyl-2-[[6-iodo-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: 2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N,N-dibutylpropanamide Traditional Name: 2-[(3-benzyl-6-iodo-4-keto-quinazolin-2-yl)thio]-N,N-dibutyl-propionamide Formula: C26H32IN3O2S MolecularWeight: 577.52065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCN(CCCC)C(=O)C(C)SC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C26H32IN3O2S/c1-4-6-15-29(16-7-5-2)24(31)19(3)33-26-28-23-14-13-21(27)17-22(23)25(32)30(26)18-20-11-9-8-10-12-20/h8-14,17,19H,4-7,15-16,18H2,1-3H3