N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[2-(4-ethoxyphenyl)ethyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-p-phenetylethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-2-29-19-9-7-17(8-10-19)11-12-23-20(28)18-6-5-15-27(16-18)22-25-24-21(30-22)26-13-3-4-14-26/h3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,1H3,(H,23,28)