N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H33N5OS/c30-23(24-20-12-7-2-1-3-8-13-20)28-15-9-14-27(16-17-28)18-21-25-22(29-26-21)19-10-5-4-6-11-19/h4-6,10-11,20H,1-3,7-9,12-18H2,(H,24,30)