3-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide

Systemtic Name: 3-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide Openeye Name: 3-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-propanamide CAS Name: 3-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-cyclohexylpropanamide IUPAC Name: 3-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide Traditional Name: 3-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-cyclohexyl-propionamide Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC3CCCCC3

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H28ClN3O3S/c1-28-12-5-11-25-20(27)17-9-8-15(22)14-18(17)24-21(25)29-13-10-19(26)23-16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,23,26)