N-(2-ethylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O2S2/c1-3-12-6-4-5-7-13(12)15-14(20)16-8-10-17(11-9-16)21(2,18)19/h4-7H,3,8-11H2,1-2H3,(H,15,20)