N-(2-methylprop-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methylprop-2-enyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: N-(2-methylprop-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methylprop-2-enyl)-4-(4-methylsulfonyl-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-N-(2-methylallyl)piperazine-1-carbothioamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=C)CNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4S2/c1-12(2)11-17-16(25)19-8-6-18(7-9-19)14-5-4-13(26(3,23)24)10-15(14)20(21)22/h4-5,10H,1,6-9,11H2,2-3H3,(H,17,25)