1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)piperidine-3-carboxamide Openeye Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)piperidine-3-carboxamide CAS Name: 1-[5-(2,5-dimethyl-1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)piperidine-3-carboxamide Traditional Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethylphenyl)nipecotamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C(=CC=C4C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C(=CC=C4C)C

InChI

InChI=1S/C22H27N5OS/c1-4-17-8-5-6-10-19(17)23-20(28)18-9-7-13-26(14-18)21-24-25-22(29-21)27-15(2)11-12-16(27)3/h5-6,8,10-12,18H,4,7,9,13-14H2,1-3H3,(H,23,28)