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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclopentyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O2S/c30-23-10-6-9-21(17-23)19-36-29-32-26-18-22(27(34)31-24-11-4-5-12-24)13-14-25(26)28(35)33(29)16-15-20-7-2-1-3-8-20/h1-3,6-10,13-14,17-18,24H,4-5,11-12,15-16,19H2,(H,31,34)