N-[4-[(2S)-butan-2-yl]phenyl]-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-2-(7-oxobenzo[a]phenalen-3-yl)sulfanyl-acetamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetamide Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]-N-[4-[(1S)-1-methylpropyl]phenyl]acetamide Formula: C29H25NO2S MolecularWeight: 451.5793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H25NO2S/c1-3-18(2)19-11-13-20(14-12-19)30-27(31)17-33-26-16-15-22-21-7-4-5-8-23(21)29(32)25-10-6-9-24(26)28(22)25/h4-16,18H,3,17H2,1-2H3,(H,30,31)/t18-/m0/s1