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

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C17H25N3O4S2/c1-23-14-4-6-16(7-5-14)26(21,22)20-10-8-19(9-11-20)17(25)18-13-15-3-2-12-24-15/h4-7,15H,2-3,8-13H2,1H3,(H,18,25)