5-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-3-4-5-6-7-13-28-18-10-8-9-17(15-18)24-22(29)25-21(26)19-14-16(23)11-12-20(19)27-2/h8-12,14-15H,3-7,13H2,1-2H3,(H2,24,25,26,29)