(2S)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide

Systemtic Name: (2S)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide Openeye Name: (2S)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide CAS Name: (2S)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[(1R)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-phenylbutyl]propionamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-11-20(18-12-7-6-8-13-18)25-22(28)17(4)30-24-26-21-15-10-9-14-19(21)23(29)27(24)16(2)3/h6-10,12-17,20H,5,11H2,1-4H3,(H,25,28)/t17-,20+/m0/s1