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

Systemtic Name: ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanoylamino]benzoate Openeye Name: ethyl 4-[3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)propanoylamino]benzoic acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(CC(NC2=S)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(CC(NC2=S)(C)C)C

InChI

InChI=1S/C19H27N3O3S/c1-5-25-17(24)14-6-8-15(9-7-14)20-16(23)10-11-22-13(2)12-19(3,4)21-18(22)26/h6-9,13H,5,10-12H2,1-4H3,(H,20,23)(H,21,26)