3-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-31(2)25(32)14-11-20-9-6-10-22(17-20)29-27(35)30-26(33)21-12-13-24(23(28)18-21)34-16-15-19-7-4-3-5-8-19/h3-10,12-13,17-18H,11,14-16H2,1-2H3,(H2,29,30,33,35)