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

Systemtic Name: 3-(4-dimethylaminophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Openeye Name: 3-(4-dimethylaminophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide CAS Name: 3-(4-dimethylaminophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide IUPAC Name: 3-(4-dimethylaminophenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine-1-carbothioamide Traditional Name: 3-(4-dimethylaminophenyl)-4,5,6,7-tetrahydro-2H-pyrazol[3,4-b]azepine-1-carbothioamide Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5S/c1-20(2)12-8-6-11(7-9-12)14-13-5-3-4-10-18-15(13)21(19-14)16(17)22/h6-9,19H,3-5,10H2,1-2H3,(H2,17,22)