3-bromanyl-4-butoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-(tetrahydrofurfuryloxy)phenyl]thiocarbamoyl]benzamide Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)Br

InChI

InChI=1S/C23H27BrN2O4S/c1-2-3-11-29-21-10-9-16(13-20(21)24)22(27)26-23(31)25-17-6-4-7-18(14-17)30-15-19-8-5-12-28-19/h4,6-7,9-10,13-14,19H,2-3,5,8,11-12,15H2,1H3,(H2,25,26,27,31)