N-butyl-4-(4-tert-butylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-(4-tert-butylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-tert-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-tert-butylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(4-tert-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H31N3O2S2 MolecularWeight: 397.59834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S2/c1-5-6-11-20-18(25)21-12-14-22(15-13-21)26(23,24)17-9-7-16(8-10-17)19(2,3)4/h7-10H,5-6,11-15H2,1-4H3,(H,20,25)