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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[4-(nonanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxononylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-(nonanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(pelargonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H41N3O3S MolecularWeight: 487.69774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O3S/c1-6-8-9-10-11-12-13-23(31)28-22-16-14-21(15-17-22)25-24(26(32)33-18-19(3)4)20(5)30(7-2)27(34)29-25/h14-17,19,25H,6-13,18H2,1-5H3,(H,28,31)(H,29,34)