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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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