3-bromanyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-4-propoxy-N-[[2-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-4-propoxy-N-[[2-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-2-11-31-20-10-9-15(13-18(20)24)21(28)27-23(32)26-19-8-4-3-7-17(19)22(29)25-14-16-6-5-12-30-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,25,29)(H2,26,27,28,32)