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

Systemtic Name: N-ethyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C14H20N4O4S2 MolecularWeight: 372.463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S2/c1-3-15-14(23)16-6-8-17(9-7-16)24(21,22)13-10-12(18(19)20)5-4-11(13)2/h4-5,10H,3,6-9H2,1-2H3,(H,15,23)