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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(5-chloro-2-thienyl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(5-chloro-2-thiophenyl)sulfonyl]-N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(5-chloro-2-thienyl)sulfonyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]piperazine-1-carbothioamide Formula: C16H25ClN4O2S3 MolecularWeight: 437.0433

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCN1CCCC1CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H25ClN4O2S3/c1-2-19-7-3-4-13(19)12-18-16(24)20-8-10-21(11-9-20)26(22,23)15-6-5-14(17)25-15/h5-6,13H,2-4,7-12H2,1H3,(H,18,24)