N-(3,4-dimethylphenyl)-2-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C31H29N3O4S MolecularWeight: 539.64466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C31H29N3O4S/c1-21-16-17-23(20-22(21)2)32-29(35)25-12-6-8-14-27(25)33-31(39)34-30(36)26-13-7-9-15-28(26)38-19-18-37-24-10-4-3-5-11-24/h3-17,20H,18-19H2,1-2H3,(H,32,35)(H2,33,34,36,39)