2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 3-(2-oxolanylmethyl)-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-quinazolinone IUPAC Name: 3-(oxolan-2-ylmethyl)-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylquinazolin-4-one Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N2O3S2/c24-18(19-10-5-12-27-19)9-4-13-28-21-22-17-8-2-1-7-16(17)20(25)23(21)14-15-6-3-11-26-15/h1-2,5,7-8,10,12,15H,3-4,6,9,11,13-14H2