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4-(4-butylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide

4-(4-butylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide

Systemtic Name:4-(4-butylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide
Openeye Name:4-(4-butylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide
CAS Name:4-(4-butylphenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide
IUPAC Name:4-(4-butylphenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide
Traditional Name:4-(4-butylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide
Formula: C23H31N3O2S2
MolecularWeight: 445.64114
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3


Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3


InChI

InChI=1S/C23H31N3O2S2/c1-2-3-7-21-10-12-22(13-11-21)30(27,28)26-18-16-25(17-19-26)23(29)24-15-14-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-19H2,1H3,(H,24,29)


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