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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxoquinazoline-7-carboxamide Traditional Name: 3-benzyl-2-[(2-chlorobenzyl)thio]-N-cyclopentyl-4-keto-quinazoline-7-carboxamide Formula: C28H26ClN3O2S MolecularWeight: 504.04294

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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=C4Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=C4Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O2S/c29-24-13-7-4-10-21(24)18-35-28-31-25-16-20(26(33)30-22-11-5-6-12-22)14-15-23(25)27(34)32(28)17-19-8-2-1-3-9-19/h1-4,7-10,13-16,22H,5-6,11-12,17-18H2,(H,30,33)