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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[2-(1-cyclohexenyl)ethyl]-4-oxo-3-phenyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-3-phenylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-3-phenyl-quinazoline-7-carboxamide Formula: C30H28ClN3O2S MolecularWeight: 530.08022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28ClN3O2S/c31-24-11-7-10-22(18-24)20-37-30-33-27-19-23(28(35)32-17-16-21-8-3-1-4-9-21)14-15-26(27)29(36)34(30)25-12-5-2-6-13-25/h2,5-8,10-15,18-19H,1,3-4,9,16-17,20H2,(H,32,35)