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

Systemtic Name: (2S)-N-tert-butyl-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-tert-butyl-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-tert-butyl-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-tert-butyl-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-13-16(23)10-8-12-18(13)26-20(28)15-9-6-7-11-17(15)24-21(26)29-14(2)19(27)25-22(3,4)5/h6-12,14H,1-5H3,(H,25,27)/t14-/m0/s1