N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methyl-piperazine-1-carbothioamide Openeye Name: N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methyl-piperazine-1-carbothioamide CAS Name: N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methylpiperazine-1-carbothioamide Traditional Name: N-[2-(1H-imidazol-2-ylmethyl)phenyl]-4-methyl-piperazine-1-carbothioamide Formula: C16H21N5S MolecularWeight: 315.43644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=CC=CC=C2CC3=NC=CN3

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=CC=CC=C2CC3=NC=CN3

InChI

InChI=1S/C16H21N5S/c1-20-8-10-21(11-9-20)16(22)19-14-5-3-2-4-13(14)12-15-17-6-7-18-15/h2-7H,8-12H2,1H3,(H,17,18)(H,19,22)