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

Systemtic Name: N-[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]ethanamide Openeye Name: N-[2-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylethyl]acetamide CAS Name: N-[2-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]ethyl]acetamide IUPAC Name: N-[2-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylethyl]acetamide Traditional Name: N-[2-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]ethyl]acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCNC(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCNC(=O)C

InChI

InChI=1S/C22H25N3O2S/c1-4-15(2)17-9-11-18(12-10-17)25-21(27)19-7-5-6-8-20(19)24-22(25)28-14-13-23-16(3)26/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1