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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-13-10-15(19-22-13)12-20-6-3-7-21(9-8-20)16(23)18-14-4-2-5-17-11-14/h2,4-5,10-11H,3,6-9,12H2,1H3,(H,18,23)