3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-3-veratryl-quinazolin-4-one Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H25N3O4S/c1-17(26(32)21-15-29-22-10-6-4-8-19(21)22)36-28-30-23-11-7-5-9-20(23)27(33)31(28)16-18-12-13-24(34-2)25(14-18)35-3/h4-15,17,29H,16H2,1-3H3