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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-(2-phenoxyethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[3-(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)C(=O)NC(=S)NC2=CC(=CC=C2)OCCOC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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