3-(3-methoxypropyl)-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-[2-(1-piperidyl)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-[2-(1-piperidinyl)phenyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(2-piperidin-1-ylphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(2-piperidinophenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCCC4)NC1=S

InChI

InChI=1S/C24H28N4O3S/c1-31-15-7-14-28-23(30)18-11-10-17(16-20(18)26-24(28)32)22(29)25-19-8-3-4-9-21(19)27-12-5-2-6-13-27/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,25,29)(H,26,32)