4,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[2-[4-[(E)-3-phenylacryloyl]piperazino]acetyl]amino]thiophene-3-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CN2CCN(CC2)C(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4O3S/c1-15-16(2)30-22(20(15)21(23)29)24-18(27)14-25-10-12-26(13-11-25)19(28)9-8-17-6-4-3-5-7-17/h3-9H,10-14H2,1-2H3,(H2,23,29)(H,24,27)/b9-8+