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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H24ClN5O2S MolecularWeight: 421.94416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4)Cl)C

InChI

InChI=1S/C19H24ClN5O2S/c1-13-15(18(20)23(2)22-13)11-24-6-3-7-25(9-8-24)19(28)21-14-4-5-16-17(10-14)27-12-26-16/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,21,28)