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

Systemtic Name: (2R)-N-aminocarbonyl-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: (2R)-N-carbamoyl-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: (2R)-N-carbamoyl-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: (2R)-N-carbamoyl-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C21H21ClN4O3S/c1-11(2)17(18(27)25-20(23)29)30-21-24-15-9-5-4-7-13(15)19(28)26(21)16-10-6-8-14(22)12(16)3/h4-11,17H,1-3H3,(H3,23,25,27,29)/t17-/m1/s1