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

Systemtic Name: 5-bromanyl-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-2-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=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H30BrN3O3S/c30-22-13-16-26(36-18-17-20-7-3-1-4-8-20)25(19-22)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)