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

Systemtic Name: 4-(furan-2-ylcarbonyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(furan-2-carbonyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-[2-furanyl(oxo)methyl]-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(furan-2-carbonyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(2-furoyl)-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H25N3O2S/c1-13-5-2-3-6-14(13)18-17(23)20-10-8-19(9-11-20)16(21)15-7-4-12-22-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,18,23)/t13-,14-/m0/s1