4-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(p-tolylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(tetrahydrofurfuryl)-4-tosyl-piperazine-1-carbothioamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-14-4-6-16(7-5-14)25(21,22)20-10-8-19(9-11-20)17(24)18-13-15-3-2-12-23-15/h4-7,15H,2-3,8-13H2,1H3,(H,18,24)