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

Systemtic Name: ethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(2-phenylbutanoylamino)phenyl]-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:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC

InChI

InChI=1S/C25H29N3O3S/c1-5-20(17-10-8-7-9-11-17)23(29)26-19-14-12-18(13-15-19)22-21(24(30)31-6-2)16(3)28(4)25(32)27-22/h7-15,20,22H,5-6H2,1-4H3,(H,26,29)(H,27,32)