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

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC

InChI

InChI=1S/C16H25N3O2S2/c1-3-4-5-14-6-8-15(9-7-14)23(20,21)19-12-10-18(11-13-19)16(22)17-2/h6-9H,3-5,10-13H2,1-2H3,(H,17,22)