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

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-N-[2-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C23H27N3O3S/c1-4-16(2)17-9-5-7-11-19(17)24-21(27)15-30-23-25-20-12-8-6-10-18(20)22(28)26(23)13-14-29-3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)/t16-/m0/s1