2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)ethanamide Openeye Name: 2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-isopropoxypropyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(3-propan-2-yloxypropyl)acetamide IUPAC Name: 2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-yloxypropyl)acetamide Traditional Name: 2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(3-isopropoxypropyl)acetamide Formula: C21H30ClN3O3S MolecularWeight: 439.9992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCOC(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCCOC(C)C

InChI

InChI=1S/C21H30ClN3O3S/c1-14(2)8-10-25-20(27)17-7-6-16(22)12-18(17)24-21(25)29-13-19(26)23-9-5-11-28-15(3)4/h6-7,12,14-15H,5,8-11,13H2,1-4H3,(H,23,26)