methyl 3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylphenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-[(E)-cinnamyl]piperazine-1-carbonyl]benzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC=CC=C2C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4S/c1-34-27(33)24-23(13-19-35-24)28-25(31)21-11-5-6-12-22(21)26(32)30-17-15-29(16-18-30)14-7-10-20-8-3-2-4-9-20/h2-13,19H,14-18H2,1H3,(H,28,31)/b10-7+