ethyl 4-oxidanylidene-1,3-diphenyl-6-(2-piperidin-1-ylethylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-1,3-diphenyl-6-(2-piperidin-1-ylethylsulfanyl)-2-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 4-oxo-1,3-diphenyl-6-[2-(1-piperidyl)ethylsulfanyl]-2-thioxo-pyrimidine-5-carboxylate CAS Name: 4-oxo-1,3-diphenyl-6-[2-(1-piperidinyl)ethylthio]-2-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-1,3-diphenyl-6-(2-piperidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 4-keto-1,3-diphenyl-6-(2-piperidinoethylthio)-2-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCC4

InChI

InChI=1S/C26H29N3O3S2/c1-2-32-25(31)22-23(30)28(20-12-6-3-7-13-20)26(33)29(21-14-8-4-9-15-21)24(22)34-19-18-27-16-10-5-11-17-27/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3