4-(4-butan-2-ylphenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S2/c1-4-13(2)14-5-7-15(8-6-14)23(20,21)19-11-9-18(10-12-19)16(22)17-3/h5-8,13H,4,9-12H2,1-3H3,(H,17,22)