N-(4-butylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C23H27N3O3S/c1-3-4-7-17-10-12-18(13-11-17)24-21(27)16-30-23-25-20-9-6-5-8-19(20)22(28)26(23)14-15-29-2/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,27)