N-(4-ethoxyphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

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