2,4-bis(chloranyl)-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2,4-dichloro-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2,4-dichloro-N-[4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2,4-dichloro-N-[4-(hexanoylcarbamothioylamino)phenyl]benzamide Traditional Name: N-[4-(caproylthiocarbamoylamino)phenyl]-2,4-dichloro-benzamide Formula: C20H21Cl2N3O2S MolecularWeight: 438.37064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H21Cl2N3O2S/c1-2-3-4-5-18(26)25-20(28)24-15-9-7-14(8-10-15)23-19(27)16-11-6-13(21)12-17(16)22/h6-12H,2-5H2,1H3,(H,23,27)(H2,24,25,26,28)