2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one

Systemtic Name: 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Openeye Name: 2-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one CAS Name: 2-[[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl]thio]-3-(3-ethoxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanyl-3-(3-ethoxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl]thio]-3-(3-ethoxypropyl)quinazolin-4-one Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(SC(=C3)C)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-26-11-7-10-23-20(25)16-8-5-6-9-18(16)22-21(23)27-13-19(24)17-12-14(2)28-15(17)3/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3