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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2[C@H](C)CC

InChI

InChI=1S/C23H27N3O2S/c1-5-15(3)26-22(28)19-9-7-8-10-20(19)25-23(26)29-16(4)21(27)24-18-13-11-17(6-2)12-14-18/h7-16H,5-6H2,1-4H3,(H,24,27)/t15-,16+/m1/s1