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

Systemtic Name: ethyl 3,4-dimethyl-6-[4-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-6-[4-(nonanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-(1-oxononylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-6-[4-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(pelargonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O3S/c1-5-7-8-9-10-11-12-20(28)25-19-15-13-18(14-16-19)22-21(23(29)30-6-2)17(3)27(4)24(31)26-22/h13-16,22H,5-12H2,1-4H3,(H,25,28)(H,26,31)