2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-[(3-chlorobenzyl)thio]-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazoline-7-carboxamide Formula: C29H34ClN3O2S MolecularWeight: 524.11716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H34ClN3O2S/c1-2-3-7-17-33-28(35)25-14-13-23(27(34)31-16-15-21-9-5-4-6-10-21)19-26(25)32-29(33)36-20-22-11-8-12-24(30)18-22/h8-9,11-14,18-19H,2-7,10,15-17,20H2,1H3,(H,31,34)