2-chloranyl-N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-chloro-N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-chloro-N-[2-methoxy-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-chloro-N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-chloro-N-[4-(isovalerylthiocarbamoylamino)-2-methoxy-phenyl]benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-12(2)10-18(25)24-20(28)22-13-8-9-16(17(11-13)27-3)23-19(26)14-6-4-5-7-15(14)21/h4-9,11-12H,10H2,1-3H3,(H,23,26)(H2,22,24,25,28)