N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-23(15-24,17-11-12-17)26-20(28)14-30-22-25-19-10-6-5-9-18(19)21(29)27(22)13-16-7-3-2-4-8-16/h2-10,17H,11-14H2,1H3,(H,26,28)/t23-/m0/s1