N-(4-butan-2-ylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: 4-methylsulfonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(4-sec-butylphenyl)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)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

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

InChI

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