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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-ethoxyphenyl)methyl]-1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-ethoxybenzyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S/c1-2-28-18-9-7-16(8-10-18)14-22-19(27)17-6-5-13-26(15-17)21-24-23-20(29-21)25-11-3-4-12-25/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,22,27)