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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-chlorobenzyl)-2-[(3-chlorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C28H27Cl2N3O2S MolecularWeight: 540.50388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H27Cl2N3O2S/c1-2-3-4-13-33-27(35)24-12-11-21(26(34)31-17-19-7-5-9-22(29)14-19)16-25(24)32-28(33)36-18-20-8-6-10-23(30)15-20/h5-12,14-16H,2-4,13,17-18H2,1H3,(H,31,34)