2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[[2-(4-butylphenyl)-2-oxoethyl]thio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C25H28N2O3S/c1-2-3-7-18-11-13-19(14-12-18)23(28)17-31-25-26-22-10-5-4-9-21(22)24(29)27(25)16-20-8-6-15-30-20/h4-5,9-14,20H,2-3,6-8,15-17H2,1H3