2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-3-(3-morpholinopropyl)quinazolin-4-one CAS Name: 2-[[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-3-[3-(4-morpholinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]thio]-3-(3-morpholinopropyl)quinazolin-4-one Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C26H27N3O3S2/c1-18-19-7-3-5-10-23(19)34-24(18)22(30)17-33-26-27-21-9-4-2-8-20(21)25(31)29(26)12-6-11-28-13-15-32-16-14-28/h2-5,7-10H,6,11-17H2,1H3