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

Systemtic Name: 5-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C25H31BrN2O3S MolecularWeight: 519.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

InChI

InChI=1S/C25H31BrN2O3S/c1-2-15-31-23-13-8-19(26)17-22(23)24(29)28-25(32)27-20-9-11-21(12-10-20)30-16-14-18-6-4-3-5-7-18/h8-13,17-18H,2-7,14-16H2,1H3,(H2,27,28,29,32)