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

Systemtic Name: 5-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C29H33BrN2O3S MolecularWeight: 569.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H33BrN2O3S/c1-2-3-4-5-9-19-34-25-15-13-24(14-16-25)31-29(36)32-28(33)26-21-23(30)12-17-27(26)35-20-18-22-10-7-6-8-11-22/h6-8,10-17,21H,2-5,9,18-20H2,1H3,(H2,31,32,33,36)