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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-cyclohexyl-4-oxo-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-cyclohexyl-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-cyclohexyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C30H30ClN3O2S MolecularWeight: 532.0961

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)CCC5=CC=CC=C5

InChI

InChI=1S/C30H30ClN3O2S/c31-24-11-7-10-22(18-24)20-37-30-33-27-19-23(28(35)32-25-12-5-2-6-13-25)14-15-26(27)29(36)34(30)17-16-21-8-3-1-4-9-21/h1,3-4,7-11,14-15,18-19,25H,2,5-6,12-13,16-17,20H2,(H,32,35)