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

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[(3-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[(3-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-4-26-19-9-8-15(22)12-18(19)20(25)24-21(28)23-16-6-5-7-17(13-16)27-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3,(H2,23,24,25,28)