4-(3-bromophenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-butylpiperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide Formula: C15H22BrN3O2S2 MolecularWeight: 420.38808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C15H22BrN3O2S2/c1-2-3-7-17-15(22)18-8-10-19(11-9-18)23(20,21)14-6-4-5-13(16)12-14/h4-6,12H,2-3,7-11H2,1H3,(H,17,22)