(2S)-2-[2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-[(2S)-pentan-2-yl]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[2-(2-methylprop-2-enylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]-N-[(2S)-pentan-2-yl]-3-phenyl-propanamide Openeye Name: (2S)-2-[2-(2-methylallylsulfanyl)-4-oxo-quinazolin-3-yl]-N-[(1S)-1-methylbutyl]-3-phenyl-propanamide CAS Name: (2S)-2-[2-(2-methylprop-2-enylthio)-4-oxo-3-quinazolinyl]-N-[(2S)-pentan-2-yl]-3-phenylpropanamide IUPAC Name: (2S)-2-[2-(2-methylprop-2-enylsulfanyl)-4-oxoquinazolin-3-yl]-N-[(2S)-pentan-2-yl]-3-phenylpropanamide Traditional Name: (2S)-2-[4-keto-2-(2-methylallylthio)quinazolin-3-yl]-N-[(1S)-1-methylbutyl]-3-phenyl-propionamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C(CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)C

Isomeric SMILES

CCC[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)C

InChI

InChI=1S/C26H31N3O2S/c1-5-11-19(4)27-24(30)23(16-20-12-7-6-8-13-20)29-25(31)21-14-9-10-15-22(21)28-26(29)32-17-18(2)3/h6-10,12-15,19,23H,2,5,11,16-17H2,1,3-4H3,(H,27,30)/t19-,23-/m0/s1