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

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C25H30ClN5OS MolecularWeight: 484.0566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C25H30ClN5OS/c1-19-23(24(26)29(2)28-19)17-30-13-6-14-31(16-15-30)25(33)27-21-9-11-22(12-10-21)32-18-20-7-4-3-5-8-20/h3-5,7-12H,6,13-18H2,1-2H3,(H,27,33)