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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[2-(1-cyclohexenyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-1,4-diazepane-1-carbothioamide Formula: C20H32ClN5S MolecularWeight: 410.01958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCCC3=CCCCC3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NCCC3=CCCCC3)Cl)C

InChI

InChI=1S/C20H32ClN5S/c1-16-18(19(21)24(2)23-16)15-25-11-6-12-26(14-13-25)20(27)22-10-9-17-7-4-3-5-8-17/h7H,3-6,8-15H2,1-2H3,(H,22,27)