N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C17H20ClFN4OS MolecularWeight: 382.883303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN4OS/c1-12-9-14(21-24-12)11-22-5-2-6-23(8-7-22)17(25)20-13-3-4-16(19)15(18)10-13/h3-4,9-10H,2,5-8,11H2,1H3,(H,20,25)