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

Systemtic Name: (2R)-N-aminocarbonyl-3-methyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: (2R)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-3-methyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanamide IUPAC Name: (2R)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoyl-3-methylbutanamide Traditional Name: (2R)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-13(2)17(18(26)24-20(22)28)29-21-23-16-11-7-6-10-15(16)19(27)25(21)12-14-8-4-3-5-9-14/h3-11,13,17H,12H2,1-2H3,(H3,22,24,26,28)/t17-/m1/s1