[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(3-phenyl-2-thioxo-4-imidazolin-4-yl)methanone Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CNC(=S)N2C3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-18-9-7-17(8-10-18)16-25-11-4-12-26(14-13-25)21(28)20-15-24-22(29)27(20)19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16H2,(H,24,29)