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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[(4-fluorophenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-3-cyclohexyl-2-[(4-fluorobenzyl)thio]-4-keto-quinazoline-7-carboxamide Formula: C29H27ClFN3O2S MolecularWeight: 536.059983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC=C(C=C5)F

InChI

InChI=1S/C29H27ClFN3O2S/c30-22-6-4-5-20(15-22)17-32-27(35)21-11-14-25-26(16-21)33-29(37-18-19-9-12-23(31)13-10-19)34(28(25)36)24-7-2-1-3-8-24/h4-6,9-16,24H,1-3,7-8,17-18H2,(H,32,35)