N-[(2-chlorophenyl)methyl]-4-[(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-[(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-[(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-[[4-oxo-2-(phenacylthio)-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[(4-oxo-2-phenacylsulfanylquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-[[4-keto-2-(phenacylthio)quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C31H30ClN3O3S MolecularWeight: 560.1062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5Cl

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CC=CC=C4)C(=O)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C31H30ClN3O3S/c32-26-12-6-4-10-24(26)18-33-29(37)23-16-14-21(15-17-23)19-35-30(38)25-11-5-7-13-27(25)34-31(35)39-20-28(36)22-8-2-1-3-9-22/h1-13,21,23H,14-20H2,(H,33,37)