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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-N-cyclopentyl-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-cyclopentyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(4-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=C(C=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

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

InChI

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