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

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[4-(3-phenylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[4-(3-phenylpropanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[(1-oxo-3-phenylpropyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[4-(3-phenylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-(hydrocinnamoylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CCC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C25H29N3O3S/c1-4-28-17(3)22(24(30)31-5-2)23(27-25(28)32)19-12-14-20(15-13-19)26-21(29)16-11-18-9-7-6-8-10-18/h6-10,12-15,23H,4-5,11,16H2,1-3H3,(H,26,29)(H,27,32)