4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: N-(2-methylallyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-methylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-methylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: N-(2-methylallyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=S)NCC(=C)C

InChI

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