N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-3-(3-methyl-4-oxo-2-quinazolinyl)propanamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-3-(4-keto-3-methyl-quinazolin-2-yl)propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-25-19(24-18-5-3-2-4-17(18)21(25)27)10-11-20(26)23-12-13-28-14-15-6-8-16(22)9-7-15/h2-9H,10-14H2,1H3,(H,23,26)