N-butyl-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C17H27N3O4S2/c1-4-5-8-18-17(25)19-9-11-20(12-10-19)26(21,22)16-13-14(23-2)6-7-15(16)24-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,18,25)