3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C25H31BrN2O4S MolecularWeight: 535.49364

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

InChI

InChI=1S/C25H31BrN2O4S/c1-30-15-16-32-23-12-7-19(17-22(23)26)24(29)28-25(33)27-20-8-10-21(11-9-20)31-14-13-18-5-3-2-4-6-18/h7-12,17-18H,2-6,13-16H2,1H3,(H2,27,28,29,33)