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

Systemtic Name: ethyl 3,4-dimethyl-6-[4-(2-phenylsulfanylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-[4-[(2-phenylsulfanylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-[4-[(2-phenylsulfanylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-[[2-(phenylthio)acetyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O3S2/c1-4-29-22(28)20-15(2)26(3)23(30)25-21(20)16-10-12-17(13-11-16)24-19(27)14-31-18-8-6-5-7-9-18/h5-13,21H,4,14H2,1-3H3,(H,24,27)(H,25,30)