N-[(1S,2S)-2-methylcyclohexyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H25N5S MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H25N5S/c1-13-5-2-3-6-14(13)19-16(22)21-11-9-20(10-12-21)15-17-7-4-8-18-15/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H,19,22)/t13-,14-/m0/s1