N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(4-chloranylphenoxy)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(4-chlorophenoxy)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[4-(4-chlorophenoxy)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C22H19ClN2O2S MolecularWeight: 410.91646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H19ClN2O2S/c1-14-11-15(2)13-16(12-14)21(26)25-22(28)24-18-5-9-20(10-6-18)27-19-7-3-17(23)4-8-19/h3-13H,1-2H3,(H2,24,25,26,28)