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

Systemtic Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide Openeye Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-propanamide CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C22H27N3O2S/c1-15(20(26)23-17-11-12-17)28-22-24-19-10-6-5-9-18(19)21(27)25(22)14-13-16-7-3-2-4-8-16/h5-7,9-10,15,17H,2-4,8,11-14H2,1H3,(H,23,26)