N-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-4-methyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-4-methyl-1,4-diazepane-1-carboxamide Openeye Name: N-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-4-methyl-1,4-diazepane-1-carboxamide CAS Name: N-[2-(1H-imidazol-2-ylthio)phenyl]-4-methyl-1,4-diazepane-1-carboxamide IUPAC Name: N-[2-(1H-imidazol-2-ylsulfanyl)phenyl]-4-methyl-1,4-diazepane-1-carboxamide Traditional Name: N-[2-(1H-imidazol-2-ylthio)phenyl]-4-methyl-1,4-diazepane-1-carboxamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)NC2=CC=CC=C2SC3=NC=CN3

Isomeric SMILES

CN1CCCN(CC1)C(=O)NC2=CC=CC=C2SC3=NC=CN3

InChI

InChI=1S/C16H21N5OS/c1-20-9-4-10-21(12-11-20)16(22)19-13-5-2-3-6-14(13)23-15-17-7-8-18-15/h2-3,5-8H,4,9-12H2,1H3,(H,17,18)(H,19,22)