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

Systemtic Name: ethyl 4-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3

InChI

InChI=1S/C19H25N3O4S/c1-2-25-18(24)14-5-7-15(8-6-14)20-19(27)22-11-9-21(10-12-22)17(23)16-4-3-13-26-16/h5-8,16H,2-4,9-13H2,1H3,(H,20,27)