5-bromanyl-2-(3-methylbutoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[4-(2-phenoxyethoxy)phenyl]thiocarbamoyl]benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H29BrN2O4S/c1-19(2)14-15-34-25-13-8-20(28)18-24(25)26(31)30-27(35)29-21-9-11-23(12-10-21)33-17-16-32-22-6-4-3-5-7-22/h3-13,18-19H,14-17H2,1-2H3,(H2,29,30,31,35)