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

Systemtic Name: methyl 2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[(4-cinnamylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 2-[[[4-(3-phenylprop-2-enyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(3-phenylprop-2-enyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 2-[(4-cinnamylpiperazine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-27-21(26)19-11-5-6-12-20(19)23-22(28)25-16-14-24(15-17-25)13-7-10-18-8-3-2-4-9-18/h2-12H,13-17H2,1H3,(H,23,28)