N-hexyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-hexyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-hexyl-acetamide CAS Name: N-hexyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-hexylacetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-hexyl-acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-2-3-4-10-15-24-21(27)17-29-23-25-20-14-9-8-13-19(20)22(28)26(23)16-18-11-6-5-7-12-18/h5-9,11-14H,2-4,10,15-17H2,1H3,(H,24,27)