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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](CNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CC)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-4-17(18-11-7-6-8-12-18)15-24-21(27)16(3)29-23-25-20-14-10-9-13-19(20)22(28)26(23)5-2/h6-14,16-17H,4-5,15H2,1-3H3,(H,24,27)/t16-,17-/m0/s1