2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N,N-diethyl-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,N-diethyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-[(3-chlorobenzyl)thio]-N,N-diethyl-4-keto-quinazoline-7-carboxamide Formula: C25H30ClN3O2S MolecularWeight: 472.0426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N(CC)CC)N=C1SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C25H30ClN3O2S/c1-4-7-8-14-29-24(31)21-13-12-19(23(30)28(5-2)6-3)16-22(21)27-25(29)32-17-18-10-9-11-20(26)15-18/h9-13,15-16H,4-8,14,17H2,1-3H3