(5-nitrothiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: (5-nitro-2-thiophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methanone IUPAC Name: (5-nitrothiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-(5-nitro-2-thienyl)methanone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c22-18(16-8-9-17(25-16)21(23)24)20-13-11-19(12-14-20)10-4-7-15-5-2-1-3-6-15/h1-9H,10-14H2/b7-4+