4-ethyl-5-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazine-1,4-diiumyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazine-1,4-diium-1-yl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C23H32N4O2S+2 MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4O2S/c1-3-19-17(2)30-23(21(19)22(24)29)25-20(28)16-27-14-12-26(13-15-27)11-7-10-18-8-5-4-6-9-18/h4-10H,3,11-16H2,1-2H3,(H2,24,29)(H,25,28)/p+2/b10-7+