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

Systemtic Name: N-(3-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-(3-chlorophenyl)-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C28H25Cl2N3O2S MolecularWeight: 538.488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H25Cl2N3O2S/c29-20-7-4-6-18(14-20)17-36-28-32-25-15-19(26(34)31-22-9-5-8-21(30)16-22)12-13-24(25)27(35)33(28)23-10-2-1-3-11-23/h4-9,12-16,23H,1-3,10-11,17H2,(H,31,34)