methyl 3-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(2-isopropoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 3-[oxo-[[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 3-[[2-(2-isopropoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C19H23N3O6S/c1-11(2)28-15(23)10-14-17(25)20-7-8-22(14)19(29)21-16(24)12-5-4-6-13(9-12)18(26)27-3/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,20,25)(H,21,24,29)