N-ethyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-(3-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-(3-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C13H18N4O4S2 MolecularWeight: 358.43642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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