(2S)-N-aminocarbonyl-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-[7-chloranyl-3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: (2S)-N-carbamoyl-2-[7-chloro-4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: (2S)-N-carbamoyl-2-[[7-chloro-3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: (2S)-N-carbamoyl-2-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: (2S)-N-carbamoyl-2-[[7-chloro-4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=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)30-21-24-16-10-13(22)6-9-15(16)19(28)26(21)14-7-4-12(3)5-8-14/h4-11,17H,1-3H3,(H3,23,25,27,29)/t17-/m0/s1