3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(2-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-chlorobenzyl)-4-keto-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S)Cl

InChI

InChI=1S/C22H17ClN4O2S/c23-18-7-2-1-5-15(18)13-27-21(29)17-9-8-14(11-19(17)26-22(27)30)20(28)25-12-16-6-3-4-10-24-16/h1-11H,12-13H2,(H,25,28)(H,26,30)