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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C23H27N3O3S/c1-3-16(2)17-9-11-18(12-10-17)24-21(28)15-30-23-25-20-8-5-4-7-19(20)22(29)26(23)13-6-14-27/h4-5,7-12,16,27H,3,6,13-15H2,1-2H3,(H,24,28)/t16-/m0/s1