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

Systemtic Name: 3-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-butoxy-benzamide Openeye Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-butoxybenzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-butyramidophenyl)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)CCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O3S/c1-3-5-13-29-19-12-7-15(14-18(19)23)21(28)26-22(30)25-17-10-8-16(9-11-17)24-20(27)6-4-2/h7-12,14H,3-6,13H2,1-2H3,(H,24,27)(H2,25,26,28,30)