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

Systemtic Name: 4-(4-ethanoylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3OS/c1-15-5-3-4-6-19(15)21-20(25)23-13-11-22(12-14-23)18-9-7-17(8-10-18)16(2)24/h7-10,15,19H,3-6,11-14H2,1-2H3,(H,21,25)/t15-,19-/m0/s1