N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclopentyl-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3CCCC3)OC

InChI

InChI=1S/C18H27N3O4S2/c1-24-16-8-7-15(13-17(16)25-2)27(22,23)21-11-9-20(10-12-21)18(26)19-14-5-3-4-6-14/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,26)