3-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide

Systemtic Name: 3-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanamide Openeye Name: 3-[6-chloro-3-[4-[(1S)-1-methylpropyl]phenyl]-4-oxo-quinazolin-2-yl]sulfanylpropanamide CAS Name: 3-[[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: 3-[3-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[[6-chloro-4-keto-3-[4-[(1S)-1-methylpropyl]phenyl]quinazolin-2-yl]thio]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-3-13(2)14-4-7-16(8-5-14)25-20(27)17-12-15(22)6-9-18(17)24-21(25)28-11-10-19(23)26/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,26)/t13-/m0/s1