3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide

Systemtic Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(2,4-dimethoxyphenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C3CCCCN=C3N(N2)C(=S)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C3CCCCN=C3N(N2)C(=S)N)OC

InChI

InChI=1S/C16H20N4O2S/c1-21-10-6-7-11(13(9-10)22-2)14-12-5-3-4-8-18-15(12)20(19-14)16(17)23/h6-7,9,19H,3-5,8H2,1-2H3,(H2,17,23)