2-methylsulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-phenyl-imidazole-4-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-phenyl-imidazole-4-carboxamide Openeye Name: 2-methylsulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]-3-phenyl-imidazole-4-carboxamide CAS Name: 2-(methylthio)-N-[3-(2-oxo-1-azepanyl)propyl]-3-phenyl-4-imidazolecarboxamide IUPAC Name: 2-methylsulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]-3-phenylimidazole-4-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(methylthio)-3-phenyl-imidazole-4-carboxamide Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C20H26N4O2S/c1-27-20-22-15-17(24(20)16-9-4-2-5-10-16)19(26)21-12-8-14-23-13-7-3-6-11-18(23)25/h2,4-5,9-10,15H,3,6-8,11-14H2,1H3,(H,21,26)