N-methyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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