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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25N3O3S/c1-4-15(2)25-21(27)18-10-5-6-11-19(18)24-22(25)29-14-20(26)23-13-16-8-7-9-17(12-16)28-3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1