N-(2-methylprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesitylsulfonyl-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C18H27N3O2S2 MolecularWeight: 381.55588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S2/c1-13(2)12-19-18(24)20-6-8-21(9-7-20)25(22,23)17-15(4)10-14(3)11-16(17)5/h10-11H,1,6-9,12H2,2-5H3,(H,19,24)