N-cyclohexyl-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-cyclohexyl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-cyclohexylpiperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-cyclohexyl-piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O2S2/c22-25(23,15-16-7-3-1-4-8-16)21-13-11-20(12-14-21)18(24)19-17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,19,24)