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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)NC1=S

InChI

InChI=1S/C21H22ClN3O2S/c1-2-3-4-10-25-20(27)17-9-8-15(12-18(17)24-21(25)28)19(26)23-13-14-6-5-7-16(22)11-14/h5-9,11-12H,2-4,10,13H2,1H3,(H,23,26)(H,24,28)