4-(2-bromophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-bromophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Openeye Name: 4-(2-bromophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide CAS Name: 4-(2-bromophenyl)sulfonyl-N-propyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-bromophenyl)sulfonyl-N-propylpiperazine-1-carbothioamide Traditional Name: 4-(2-bromophenyl)sulfonyl-N-propyl-piperazine-1-carbothioamide Formula: C14H20BrN3O2S2 MolecularWeight: 406.3615

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C14H20BrN3O2S2/c1-2-7-16-14(21)17-8-10-18(11-9-17)22(19,20)13-6-4-3-5-12(13)15/h3-6H,2,7-11H2,1H3,(H,16,21)