3-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H30BrN3O3S MolecularWeight: 580.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C29H30BrN3O3S/c30-25-19-22(13-16-26(25)36-18-17-20-7-3-1-4-8-20)28(35)33-29(37)32-24-14-11-21(12-15-24)27(34)31-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18H2,(H,31,34)(H2,32,33,35,37)