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

Systemtic Name: ethyl 4-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(4-acetylphenyl)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)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-28-21(27)18-4-8-19(9-5-18)23-22(29)25-14-12-24(13-15-25)20-10-6-17(7-11-20)16(2)26/h4-11H,3,12-15H2,1-2H3,(H,23,29)