5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C26H35BrN2O4S MolecularWeight: 551.5361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

InChI

InChI=1S/C26H35BrN2O4S/c1-4-6-8-9-15-32-22-13-11-20(27)17-21(22)25(30)29-26(34)28-18-19-10-12-23(24(16-19)31-3)33-14-7-5-2/h10-13,16-17H,4-9,14-15,18H2,1-3H3,(H2,28,29,30,34)