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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-(3-methyl-4-oxo-2-quinazolinyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-3-(4-keto-3-methyl-quinazolin-2-yl)propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H22N4O2S/c1-26-20(25-19-9-5-4-8-18(19)22(26)28)10-11-21(27)24-12-13-29-15-17-7-3-2-6-16(17)14-23/h2-9H,10-13,15H2,1H3,(H,24,27)