4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-butyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(2,5-dichlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2,5-dichlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C15H21Cl2N3O2S2 MolecularWeight: 410.38214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21Cl2N3O2S2/c1-2-3-6-18-15(23)19-7-9-20(10-8-19)24(21,22)14-11-12(16)4-5-13(14)17/h4-5,11H,2-3,6-10H2,1H3,(H,18,23)