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

Systemtic Name: 5-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C30H33BrN2O3S MolecularWeight: 581.56362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)CCOC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C30H33BrN2O3S/c31-24-11-16-28(36-20-18-23-9-5-2-6-10-23)27(21-24)29(34)33-30(37)32-25-12-14-26(15-13-25)35-19-17-22-7-3-1-4-8-22/h2,5-6,9-16,21-22H,1,3-4,7-8,17-20H2,(H2,32,33,34,37)