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

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(4-methylsulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(4-mesyl-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C15H20N4O4S2 MolecularWeight: 384.4737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S2/c1-3-6-16-15(24)18-9-7-17(8-10-18)13-5-4-12(25(2,22)23)11-14(13)19(20)21/h3-5,11H,1,6-10H2,2H3,(H,16,24)