dimethyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-30-22(28)19-15-20(23(29)31-2)17-21(16-19)25-24(32)27-13-11-26(12-14-27)10-6-9-18-7-4-3-5-8-18/h3-9,15-17H,10-14H2,1-2H3,(H,25,32)/b9-6+