methyl 4,5-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCN(CC2)C/C=C/C3=CC=CC=C3)OC

InChI

InChI=1S/C24H29N3O4S/c1-29-21-16-19(23(28)31-3)20(17-22(21)30-2)25-24(32)27-14-12-26(13-15-27)11-7-10-18-8-5-4-6-9-18/h4-10,16-17H,11-15H2,1-3H3,(H,25,32)/b10-7+