ethyl 3-[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(CC(NC2=S)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C(CC(NC2=S)(C)C)C

InChI

InChI=1S/C18H25N3O3S/c1-5-24-16(23)13-7-6-8-14(9-13)19-15(22)11-21-12(2)10-18(3,4)20-17(21)25/h6-9,12H,5,10-11H2,1-4H3,(H,19,22)(H,20,25)