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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-14-12-15(20-24-14)13-21-8-5-9-22(11-10-21)18(23)19-16-6-3-4-7-17(16)25-2/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,19,23)