ethyl 4-[[4-(2-phenylethanoyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(2-phenylethanoyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(2-phenylacetyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2-phenylacetyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-phenylacetyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-2-28-21(27)18-8-10-19(11-9-18)23-22(29)25-14-12-24(13-15-25)20(26)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,23,29)