4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Formula: C20H27FN4OS MolecularWeight: 390.517983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=S)NC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4OS/c1-14(17-5-7-18(21)8-6-17)22-20(27)25-10-4-9-24(11-12-25)13-19-15(2)23-26-16(19)3/h5-8,14H,4,9-13H2,1-3H3,(H,22,27)