4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Formula: C20H32N4O2S2 MolecularWeight: 424.62368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H32N4O2S2/c1-4-22-9-5-6-18(22)15-21-20(27)23-10-12-24(13-11-23)28(25,26)19-14-16(2)7-8-17(19)3/h7-8,14,18H,4-6,9-13,15H2,1-3H3,(H,21,27)