2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-quinazolin-4-one CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-3-cyclopentyl-4-quinazolinone IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-cyclopentylquinazolin-4-one Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-3-cyclopentyl-quinazolin-4-one Formula: C22H21BrN2O3S MolecularWeight: 473.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4)Br

InChI

InChI=1S/C22H21BrN2O3S/c1-28-20-11-10-14(12-17(20)23)19(26)13-29-22-24-18-9-5-4-8-16(18)21(27)25(22)15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7,13H2,1H3