N-(2,6-diethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2,6-diethylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,6-diethylphenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C25H31N3O2S/c1-5-18-10-9-11-19(6-2)23(18)27-22(29)16-31-25-26-21-13-8-7-12-20(21)24(30)28(25)15-14-17(3)4/h7-13,17H,5-6,14-16H2,1-4H3,(H,27,29)