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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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