N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25ClN2O5S/c1-21(2,3)12-9-13(22)17(25)14(10-12)23-20(30)24-19(26)11-7-15(27-4)18(29-6)16(8-11)28-5/h7-10,25H,1-6H3,(H2,23,24,26,30)