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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-phenyl-piperazine-1-carbothioamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-phenylpiperazine-1-carbothioamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-4-phenyl-piperazine-1-carbothioamide Formula: C18H27N3S MolecularWeight: 317.49208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3S/c1-15-7-5-6-10-17(15)19-18(22)21-13-11-20(12-14-21)16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H,19,22)/t15-,17-/m0/s1