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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(tetrahydrofuran-2-ylmethoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(2-oxolanylmethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(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=C(C=C2)OCC3CCCO3)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O4S/c1-2-3-12-29-21-11-6-16(14-20(21)24)22(27)26-23(31)25-17-7-9-18(10-8-17)30-15-19-5-4-13-28-19/h6-11,14,19H,2-5,12-13,15H2,1H3,(H2,25,26,27,31)