N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-(quinolin-8-ylcarbamothioylamino)ethyl]naphthalene-2-carboxamide Openeye Name: N-[2,2,2-trichloro-1-(8-quinolylcarbamothioylamino)ethyl]naphthalene-2-carboxamide CAS Name: N-[2,2,2-trichloro-1-[[(8-quinolinylamino)-sulfanylidenemethyl]amino]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]naphthalene-2-carboxamide Traditional Name: N-[2,2,2-trichloro-1-(8-quinolylthiocarbamoylamino)ethyl]-2-naphthamide Formula: C23H17Cl3N4OS MolecularWeight: 503.83128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H17Cl3N4OS/c24-23(25,26)21(29-20(31)17-11-10-14-5-1-2-6-16(14)13-17)30-22(32)28-18-9-3-7-15-8-4-12-27-19(15)18/h1-13,21H,(H,29,31)(H2,28,30,32)