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N,N-diethyl-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethanamide

N,N-diethyl-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethanamide

Systemtic Name:N,N-diethyl-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]ethanamide
Openeye Name:N,N-diethyl-2-[4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CAS Name:N,N-diethyl-2-[4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]acetamide
IUPAC Name:N,N-diethyl-2-[4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
Traditional Name:N,N-diethyl-2-[4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazino]acetamide
Formula: C19H26N4O4S
MolecularWeight: 406.49914
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]


InChI

InChI=1S/C19H26N4O4S/c1-4-21(5-2)18(24)13-20-8-10-22(11-9-20)19(25)14(3)15-6-7-17(28)16(12-15)23(26)27/h6-7,12,28H,3-5,8-11,13H2,1-2H3


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