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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-[(3-chlorobenzyl)thio]-N-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C27H32ClN3O2S MolecularWeight: 498.07988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N=C1SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H32ClN3O2S/c1-2-3-7-15-31-26(33)23-14-13-20(25(32)29-22-11-5-4-6-12-22)17-24(23)30-27(31)34-18-19-9-8-10-21(28)16-19/h8-10,13-14,16-17,22H,2-7,11-12,15,18H2,1H3,(H,29,32)