N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C22H29N3O2S/c1-15(2)25-21(27)18-11-7-8-12-19(18)24-22(25)28-16(3)20(26)23-14-13-17-9-5-4-6-10-17/h7-9,11-12,15-16H,4-6,10,13-14H2,1-3H3,(H,23,26)