3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C29H33BrN2O3S MolecularWeight: 569.55292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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