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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S2/c1-2-33-27(32)25-21-24(20-23-12-7-4-8-13-23)35-26(25)29-28(34)31-18-16-30(17-19-31)15-9-14-22-10-5-3-6-11-22/h3-14,21H,2,15-20H2,1H3,(H,29,34)/b14-9+