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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[(3-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[(3-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C25H33BrN2O3S MolecularWeight: 521.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C)Br

InChI

InChI=1S/C25H33BrN2O3S/c1-4-5-6-7-14-31-23-12-11-19(16-22(23)26)24(29)28-25(32)27-20-9-8-10-21(17-20)30-15-13-18(2)3/h8-12,16-18H,4-7,13-15H2,1-3H3,(H2,27,28,29,32)