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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S/c1-14(2)12-25-21(27)16-8-4-6-10-19(16)24-22(25)28-13-20(26)17-11-23-18-9-5-3-7-15(17)18/h3-11,14,23H,12-13H2,1-2H3