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N-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide

N-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide

Systemtic Name:N-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide
Openeye Name:N-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide
CAS Name:4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N-methyl-2-piperazinecarboxamide
IUPAC Name:N-methyl-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxamide
Traditional Name:4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-N-methyl-piperazine-2-carboxamide
Formula: C15H18N4O4S
MolecularWeight: 350.39282
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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


Isomeric SMILES

CNC(=O)C1CN(CCN1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


InChI

InChI=1S/C15H18N4O4S/c1-9(10-3-4-13(24)12(7-10)19(22)23)15(21)18-6-5-17-11(8-18)14(20)16-2/h3-4,7,11,17,24H,1,5-6,8H2,2H3,(H,16,20)


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