2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclopentyl-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclopentyl-3-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C25H28ClN3O2S MolecularWeight: 470.02672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H28ClN3O2S/c1-16(2)14-29-24(31)21-11-10-18(23(30)27-20-8-3-4-9-20)13-22(21)28-25(29)32-15-17-6-5-7-19(26)12-17/h5-7,10-13,16,20H,3-4,8-9,14-15H2,1-2H3,(H,27,30)