(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[(2-methyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-[(2-methylquinazolin-4-yl)thio]propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H25N3OS/c1-5-14(2)17-10-6-8-12-19(17)25-21(26)15(3)27-22-18-11-7-9-13-20(18)23-16(4)24-22/h6-15H,5H2,1-4H3,(H,25,26)/t14-,15-/m0/s1