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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(3-isopropoxypropyl)acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCOC(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCCCOC(C)C

InChI

InChI=1S/C21H31N3O3S/c1-15(2)10-12-24-20(26)17-8-5-6-9-18(17)23-21(24)28-14-19(25)22-11-7-13-27-16(3)4/h5-6,8-9,15-16H,7,10-14H2,1-4H3,(H,22,25)