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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3CCCO3)Br

InChI

InChI=1S/C23H27BrN2O4S/c1-15(2)13-30-21-9-8-16(11-20(21)24)22(27)26-23(31)25-17-5-3-6-18(12-17)29-14-19-7-4-10-28-19/h3,5-6,8-9,11-12,15,19H,4,7,10,13-14H2,1-2H3,(H2,25,26,27,31)