3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-4-10-28-18-9-7-14(11-16(18)22)20(27)25-21(29)23-15-8-6-13(3)17(12-15)24-19(26)5-2/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,26)(H2,23,25,27,29)