4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(methoxymethyl)-1,4-diazepane-1-carbothioamide Formula: C14H24ClN5OS MolecularWeight: 345.89126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCOC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCOC)Cl)C

InChI

InChI=1S/C14H24ClN5OS/c1-11-12(13(15)18(2)17-11)9-19-5-4-6-20(8-7-19)14(22)16-10-21-3/h4-10H2,1-3H3,(H,16,22)