3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-[3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 3-[[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 3-[3-[4-[(2S)-butan-2-yl]phenyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[[4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)N

InChI

InChI=1S/C21H23N3O2S/c1-3-14(2)15-8-10-16(11-9-15)24-20(26)17-6-4-5-7-18(17)23-21(24)27-13-12-19(22)25/h4-11,14H,3,12-13H2,1-2H3,(H2,22,25)/t14-/m0/s1