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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H23N3O2S/c1-14(2)12-13-24-20(26)16-10-6-7-11-17(16)23-21(24)27-18(19(22)25)15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H2,22,25)