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

Systemtic Name: methyl 5-ethyl-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-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-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-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O2S2/c1-3-18-16-19(21(26)27-2)20(29-18)23-22(28)25-14-12-24(13-15-25)11-7-10-17-8-5-4-6-9-17/h4-10,16H,3,11-15H2,1-2H3,(H,23,28)/b10-7+