5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 5-bromo-N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-(p-anisylthiocarbamoyl)benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H23BrN2O3S/c1-13(2)12-26-18-9-6-15(21)10-17(18)19(24)23-20(27)22-11-14-4-7-16(25-3)8-5-14/h4-10,13H,11-12H2,1-3H3,(H2,22,23,24,27)