ethyl 3-ethyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-(1-oxononylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[3-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(pelargonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCC

InChI

InChI=1S/C25H37N3O3S/c1-5-8-9-10-11-12-16-21(29)26-20-15-13-14-19(17-20)23-22(24(30)31-7-3)18(4)28(6-2)25(32)27-23/h13-15,17,23H,5-12,16H2,1-4H3,(H,26,29)(H,27,32)