1-[[3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carbonyl]isonipecotamide Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)NC2=S

InChI

InChI=1S/C22H22N4O4S/c1-30-16-5-3-15(4-6-16)26-21(29)17-7-2-14(12-18(17)24-22(26)31)20(28)25-10-8-13(9-11-25)19(23)27/h2-7,12-13H,8-11H2,1H3,(H2,23,27)(H,24,31)