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

Systemtic Name: methyl 4-ethyl-5-methyl-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]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O2S2/c1-4-19-17(2)30-21(20(19)22(27)28-3)24-23(29)26-15-13-25(14-16-26)12-8-11-18-9-6-5-7-10-18/h5-11H,4,12-16H2,1-3H3,(H,24,29)/b11-8+