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

Systemtic Name: 3-bromanyl-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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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)NC(=O)CC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-11-29-19-10-5-15(13-18(19)23)21(28)26-22(30)25-17-8-6-16(7-9-17)24-20(27)12-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H,24,27)(H2,25,26,28,30)