4-[(2-fluorophenyl)methyl]-1-(4-methylsulfanylphenyl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-(4-methylsulfanylphenyl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-[(2-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-1,4-diazepan-5-one CAS Name: 4-[(2-fluorophenyl)methyl]-1-[[4-(methylthio)phenyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-(4-methylsulfanylbenzoyl)-1,4-diazepan-5-one Traditional Name: 4-(2-fluorobenzyl)-1-[4-(methylthio)benzoyl]-1,4-diazepan-5-one Formula: C20H21FN2O2S MolecularWeight: 372.456343

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H21FN2O2S/c1-26-17-8-6-15(7-9-17)20(25)22-11-10-19(24)23(13-12-22)14-16-4-2-3-5-18(16)21/h2-9H,10-14H2,1H3