4-(2,5-dimethylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C18H27N3O3S2/c1-14-5-6-15(2)17(12-14)26(22,23)21-9-7-20(8-10-21)18(25)19-13-16-4-3-11-24-16/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,25)