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

Systemtic Name: N,N-dimethyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide Openeye Name: N,N-dimethyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide CAS Name: 1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-N,N-dimethyl-2-piperazinecarboxamide IUPAC Name: N,N-dimethyl-1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxamide Traditional Name: 1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]-N,N-dimethyl-piperazine-2-carboxamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CNCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1CNCCN1C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4S/c1-10(11-4-5-14(25)12(8-11)20(23)24)15(21)19-7-6-17-9-13(19)16(22)18(2)3/h4-5,8,13,17,25H,1,6-7,9H2,2-3H3