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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-ethoxybenzyl)pyrrole-2-carboxamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C22H27N5O2S/c1-2-29-19-12-6-5-10-17(19)16-23-20(28)18-11-9-15-27(18)22-25-24-21(30-22)26-13-7-3-4-8-14-26/h5-6,9-12,15H,2-4,7-8,13-14,16H2,1H3,(H,23,28)