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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC4=CC=CC=C43)C

InChI

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