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

Systemtic Name: N,N-diethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxamide Openeye Name: N,N-diethyl-4-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-1-carboxamide CAS Name: N,N-diethyl-4-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxamide IUPAC Name: N,N-diethyl-4-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-1-carboxamide Traditional Name: N,N-diethyl-4-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-1-carboxamide Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-4-19(5-2)18(24)21-10-8-20(9-11-21)17(23)13(3)14-6-7-16(27)15(12-14)22(25)26/h6-7,12,27H,3-5,8-11H2,1-2H3