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

Systemtic Name: N-tert-butyl-3-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-tert-butyl-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-27(2,3)30-25(32)19-9-7-11-21(17-19)28-26(35)29-24(31)20-10-8-14-23(18-20)34-16-15-33-22-12-5-4-6-13-22/h4-14,17-18H,15-16H2,1-3H3,(H,30,32)(H2,28,29,31,35)