2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-3-[(1S)-1-phenylethyl]-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-3-[(1S)-1-phenylethyl]quinazolin-4-one Traditional Name: 2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]-3-[(1S)-1-phenylethyl]quinazolin-4-one Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2[C@@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-16-14-21(18(3)27(16)4)23(29)15-31-25-26-22-13-9-8-12-20(22)24(30)28(25)17(2)19-10-6-5-7-11-19/h5-14,17H,15H2,1-4H3/t17-/m0/s1