(2R)-N-(2-cyanoethyl)-N-methyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-N-(2-cyanoethyl)-N-methyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methylpropanamide Traditional Name: (2R)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)CCC#N)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S/c1-16(20(27)25(2)14-8-13-23)29-22-24-19-12-7-6-11-18(19)21(28)26(22)15-17-9-4-3-5-10-17/h3-7,9-12,16H,8,14-15H2,1-2H3/t16-/m1/s1