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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C17H28ClN5OS MolecularWeight: 385.95512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCC3CCCO3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCC3CCCO3)Cl)C

InChI

InChI=1S/C17H28ClN5OS/c1-13-15(16(18)21(2)20-13)12-22-6-4-7-23(9-8-22)17(25)19-11-14-5-3-10-24-14/h14H,3-12H2,1-2H3,(H,19,25)