5-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H33BrN4O3S MolecularWeight: 597.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H33BrN4O3S/c1-3-34(4-2)18-17-31-27(35)22-10-13-24(14-11-22)32-29(38)33-28(36)25-20-23(30)12-15-26(25)37-19-16-21-8-6-5-7-9-21/h5-15,20H,3-4,16-19H2,1-2H3,(H,31,35)(H2,32,33,36,38)