3,3,3-tris(chloranyl)-N-[3-[[[3-(2-diethylaminoethylsulfanyl)phenyl]amino]methyl]-1-(phenylmethyl)cyclopent-2-en-1-yl]propanamide

Systemtic Name: 3,3,3-tris(chloranyl)-N-[3-[[[3-(2-diethylaminoethylsulfanyl)phenyl]amino]methyl]-1-(phenylmethyl)cyclopent-2-en-1-yl]propanamide Openeye Name: N-[1-benzyl-3-[[3-(2-diethylaminoethylsulfanyl)anilino]methyl]cyclopent-2-en-1-yl]-3,3,3-trichloro-propanamide CAS Name: 3,3,3-trichloro-N-[3-[[3-(2-diethylaminoethylthio)anilino]methyl]-1-(phenylmethyl)-1-cyclopent-2-enyl]propanamide IUPAC Name: N-[1-benzyl-3-[[3-(2-diethylaminoethylsulfanyl)anilino]methyl]cyclopent-2-en-1-yl]-3,3,3-trichloropropanamide Traditional Name: N-[1-benzyl-3-[[3-(2-diethylaminoethylthio)anilino]methyl]cyclopent-2-en-1-yl]-3,3,3-trichloro-propionamide Formula: C28H36Cl3N3OS MolecularWeight: 569.02894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=CC=CC(=C1)NCC2=CC(CC2)(CC3=CC=CC=C3)NC(=O)CC(Cl)(Cl)Cl

Isomeric SMILES

CCN(CC)CCSC1=CC=CC(=C1)NCC2=CC(CC2)(CC3=CC=CC=C3)NC(=O)CC(Cl)(Cl)Cl

InChI

InChI=1S/C28H36Cl3N3OS/c1-3-34(4-2)15-16-36-25-12-8-11-24(17-25)32-21-23-13-14-27(19-23,18-22-9-6-5-7-10-22)33-26(35)20-28(29,30)31/h5-12,17,19,32H,3-4,13-16,18,20-21H2,1-2H3,(H,33,35)