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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-ethoxyphenyl)pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-p-phenetyl-pyrrole-2-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C21H25N5O2S/c1-2-28-17-11-9-16(10-12-17)22-19(27)18-8-7-15-26(18)21-24-23-20(29-21)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14H2,1H3,(H,22,27)