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

Systemtic Name: methyl 4-[[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-(2-morpholino-2-oxo-ethyl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(2-keto-2-morpholino-ethyl)piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C19H26N4O4S/c1-26-18(25)15-2-4-16(5-3-15)20-19(28)23-8-6-21(7-9-23)14-17(24)22-10-12-27-13-11-22/h2-5H,6-14H2,1H3,(H,20,28)