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

Systemtic Name: N-[(1S,2R)-2-methylcyclohexyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[(1S,2R)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-[(1S,2R)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S2/c1-15-7-5-6-10-17(15)19-18(24)20-11-13-21(14-12-20)25(22,23)16-8-3-2-4-9-16/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H,19,24)/t15-,17+/m1/s1