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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-(m-tolylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-3-4-13-33-23-12-11-19(16-22(23)27)25(32)30-26(34)29-21-10-6-8-18(15-21)24(31)28-20-9-5-7-17(2)14-20/h5-12,14-16H,3-4,13H2,1-2H3,(H,28,31)(H2,29,30,32,34)