(2S)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Openeye Name: (2S)-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-isobutyl-propanamide CAS Name: (2S)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)propanamide Traditional Name: (2S)-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-isobutyl-propionamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-13(2)12-24-20(27)15(4)29-22-25-18-10-6-5-8-16(18)21(28)26(22)19-11-7-9-17(23)14(19)3/h5-11,13,15H,12H2,1-4H3,(H,24,27)/t15-/m0/s1