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

Systemtic Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C16H26N4O2S/c1-13-10-14(18-22-13)12-19-5-3-6-20(8-7-19)16(23)17-11-15-4-2-9-21-15/h10,15H,2-9,11-12H2,1H3,(H,17,23)