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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C18H24N4OS2 MolecularWeight: 376.53936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H24N4OS2/c1-14-12-15(20-23-14)13-21-8-5-9-22(11-10-21)18(24)19-16-6-3-4-7-17(16)25-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,19,24)