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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-phenethyl-pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-phenethyl-pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-phenethyl-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-phenethylpyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-phenethyl-pyrrole-2-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c27-19(22-13-12-17-9-4-3-5-10-17)18-11-8-16-26(18)21-24-23-20(28-21)25-14-6-1-2-7-15-25/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,22,27)