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

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-[(1S,2S)-2-methylcyclohexyl]piperazine-1-carbothioamide Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H26N4O2S2/c1-15-6-2-4-8-17(15)21-19(26)22-10-12-23(13-11-22)27(24,25)18-9-5-3-7-16(18)14-20/h3,5,7,9,15,17H,2,4,6,8,10-13H2,1H3,(H,21,26)/t15-,17-/m0/s1