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

Systemtic Name: 2-chloranyl-N-[4-(hexanoylcarbamothioylamino)-2-methoxy-phenyl]benzamide Openeye Name: 2-chloro-N-[4-(hexanoylcarbamothioylamino)-2-methoxy-phenyl]benzamide CAS Name: 2-chloro-N-[2-methoxy-4-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[4-(hexanoylcarbamothioylamino)-2-methoxyphenyl]benzamide Traditional Name: N-[4-(caproylthiocarbamoylamino)-2-methoxy-phenyl]-2-chloro-benzamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)OC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2Cl)OC

InChI

InChI=1S/C21H24ClN3O3S/c1-3-4-5-10-19(26)25-21(29)23-14-11-12-17(18(13-14)28-2)24-20(27)15-8-6-7-9-16(15)22/h6-9,11-13H,3-5,10H2,1-2H3,(H,24,27)(H2,23,25,26,29)