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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[(3-isopentyloxyphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-15(2)9-10-28-18-6-4-5-17(14-18)24-22(30)25-21(26)16-7-8-20(19(23)13-16)29-12-11-27-3/h4-8,13-15H,9-12H2,1-3H3,(H2,24,25,26,30)