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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-p-anisyl-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C3CCCCN=C3N(N2)C(=S)N

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C3CCCCN=C3N(N2)C(=S)N

InChI

InChI=1S/C16H20N4OS/c1-21-12-7-5-11(6-8-12)10-14-13-4-2-3-9-18-15(13)20(19-14)16(17)22/h5-8,19H,2-4,9-10H2,1H3,(H2,17,22)