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

Systemtic Name: N-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-methyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-methyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S2/c1-10-3-4-11(17(18)19)9-12(10)23(20,21)16-7-5-15(6-8-16)13(22)14-2/h3-4,9H,5-8H2,1-2H3,(H,14,22)