(2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-propanamide Openeye Name: (2R)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-phenethylpropanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylpropanamide Traditional Name: (2R)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-phenethyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-4-16(2)26-22(28)19-12-8-9-13-20(19)25-23(26)29-17(3)21(27)24-15-14-18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3,(H,24,27)/t16-,17+/m0/s1