3-[(2S)-butan-2-yl]-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-3-[(1S)-1-methylpropyl]quinazolin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-3-14(2)25-21(27)16-9-5-7-11-19(16)24-22(25)28-13-20(26)17-12-23-18-10-6-4-8-15(17)18/h4-12,14,23H,3,13H2,1-2H3/t14-/m0/s1