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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: 2-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C31H29N3O5S MolecularWeight: 555.64406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O5S/c1-2-37-25-17-15-23(16-18-25)32-30(36)27-13-6-7-14-28(27)33-31(40)34-29(35)22-9-8-12-26(21-22)39-20-19-38-24-10-4-3-5-11-24/h3-18,21H,2,19-20H2,1H3,(H,32,36)(H2,33,34,35,40)