2-benzo[b][1]benzoxepin-5-ylsulfanylethyl(methyl)cyanamide

Systemtic Name: 2-benzo[b][1]benzoxepin-5-ylsulfanylethyl(methyl)cyanamide Openeye Name: 2-benzo[b][1]benzoxepin-5-ylsulfanylethyl(methyl)cyanamide CAS Name: 2-(5-benzo[b][1]benzoxepinylthio)ethyl-methylcyanamide IUPAC Name: 2-benzo[b][1]benzoxepin-5-ylsulfanylethyl(methyl)cyanamide Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-methyl-cyanamide Formula: C18H16N2OS MolecularWeight: 308.39744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)C#N

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)C#N

InChI

InChI=1S/C18H16N2OS/c1-20(13-19)10-11-22-18-12-14-6-2-4-8-16(14)21-17-9-5-3-7-15(17)18/h2-9,12H,10-11H2,1H3