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

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]quinazolin-4-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H19N3O3S/c25-11-5-10-24-20(27)15-7-2-4-9-18(15)23-21(24)28-13-19(26)16-12-22-17-8-3-1-6-14(16)17/h1-4,6-9,12,22,25H,5,10-11,13H2