N-(4-butylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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