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

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-[(1S)-1-methylpropyl]phenyl]propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[2-[(1S)-1-methylpropyl]phenyl]propionamide Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C24H27N3O2S/c1-4-15(2)18-9-5-7-11-20(18)25-22(28)16(3)30-24-26-21-12-8-6-10-19(21)23(29)27(24)17-13-14-17/h5-12,15-17H,4,13-14H2,1-3H3,(H,25,28)/t15-,16-/m0/s1