ethyl 3-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[[4-(2-morpholino-2-oxo-ethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-(2-keto-2-morpholino-ethyl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C20H28N4O4S/c1-2-28-19(26)16-4-3-5-17(14-16)21-20(29)24-8-6-22(7-9-24)15-18(25)23-10-12-27-13-11-23/h3-5,14H,2,6-13,15H2,1H3,(H,21,29)