3-(3,4-dimethoxyphenyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)NC2=S)OC

InChI

InChI=1S/C22H23N3O4S/c1-28-18-9-7-15(13-19(18)29-2)25-21(27)16-8-6-14(12-17(16)23-22(25)30)20(26)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,23,30)