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

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[3-(2-phenylsulfanylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[3-[(2-phenylsulfanylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-[[2-(phenylthio)acetyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C24H27N3O3S2/c1-4-27-16(3)21(23(29)30-5-2)22(26-24(27)31)17-10-9-11-18(14-17)25-20(28)15-32-19-12-7-6-8-13-19/h6-14,22H,4-5,15H2,1-3H3,(H,25,28)(H,26,31)