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

Systemtic Name: N-tert-butyl-3-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-tert-butyl-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[[4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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