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

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-4-quinazolinone IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-3-(3-pyrrolidinosulfonylphenyl)quinazolin-4-one Formula: C28H24N4O4S2 MolecularWeight: 544.64456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H24N4O4S2/c33-26(23-17-29-24-12-3-1-10-21(23)24)18-37-28-30-25-13-4-2-11-22(25)27(34)32(28)19-8-7-9-20(16-19)38(35,36)31-14-5-6-15-31/h1-4,7-13,16-17,29H,5-6,14-15,18H2