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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-4-5-12-29-19-11-6-15(13-18(19)23)21(28)26-22(30)25-17-9-7-16(8-10-17)24-20(27)14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,27)(H2,25,26,28,30)