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

Systemtic Name: 3-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C23H29BrN2O5S MolecularWeight: 525.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br)OC

InChI

InChI=1S/C23H29BrN2O5S/c1-4-5-10-30-20-8-6-16(13-21(20)29-3)15-25-23(32)26-22(27)17-7-9-19(18(24)14-17)31-12-11-28-2/h6-9,13-14H,4-5,10-12,15H2,1-3H3,(H2,25,26,27,32)