ethyl 4-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(5-p-cumenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C20H26N4O3S/c1-4-27-20(26)24-11-9-15(10-12-24)17(25)21-19-23-22-18(28-19)16-7-5-14(6-8-16)13(2)3/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,23,25)