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

Systemtic Name: N-butyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S2/c1-3-4-7-17-16(25)18-8-10-19(11-9-18)26(23,24)15-12-14(20(21)22)6-5-13(15)2/h5-6,12H,3-4,7-11H2,1-2H3,(H,17,25)