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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O4S/c35-29(24-12-9-15-26(22-24)38-21-20-37-25-13-5-2-6-14-25)34-31(39)33-28-17-8-7-16-27(28)30(36)32-19-18-23-10-3-1-4-11-23/h1-17,22H,18-21H2,(H,32,36)(H2,33,34,35,39)