methyl 5-phenyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S2/c1-31-25(30)22-19-23(21-12-6-3-7-13-21)33-24(22)27-26(32)29-17-15-28(16-18-29)14-8-11-20-9-4-2-5-10-20/h2-13,19H,14-18H2,1H3,(H,27,32)/b11-8+