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

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C25H24BrN3O3S MolecularWeight: 526.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O3S/c1-2-3-14-32-22-13-12-18(15-21(22)26)24(31)29-25(33)28-20-11-7-10-19(16-20)27-23(30)17-8-5-4-6-9-17/h4-13,15-16H,2-3,14H2,1H3,(H,27,30)(H2,28,29,31,33)