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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5OS/c1-13-16(14(2)23-20-13)12-21-7-4-8-22(10-9-21)17(24)19-15-5-3-6-18-11-15/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,19,24)