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

Systemtic Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-N-(3-methoxyphenyl)-2-[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]-N-(3-methoxyphenyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-5-14(2)25-21(27)18-11-6-7-12-19(18)24-22(25)29-15(3)20(26)23-16-9-8-10-17(13-16)28-4/h6-15H,5H2,1-4H3,(H,23,26)/t14-,15+/m0/s1