4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C)C

InChI

InChI=1S/C17H25N3O2S2/c1-13(2)12-18-17(23)19-7-9-20(10-8-19)24(21,22)16-6-5-14(3)15(4)11-16/h5-6,11H,1,7-10,12H2,2-4H3,(H,18,23)