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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-oxo-3-pentyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-benzyl-2-[(3-chlorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN3O2S/c1-2-3-7-15-32-27(34)24-14-13-22(26(33)30-18-20-9-5-4-6-10-20)17-25(24)31-28(32)35-19-21-11-8-12-23(29)16-21/h4-6,8-14,16-17H,2-3,7,15,18-19H2,1H3,(H,30,33)