2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C23H27N3O3S/c1-5-8-16(3)24-21(27)14-30-23-25-18-10-7-6-9-17(18)22(28)26(23)19-13-15(2)11-12-20(19)29-4/h6-7,9-13,16H,5,8,14H2,1-4H3,(H,24,27)/t16-/m0/s1