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

Systemtic Name: 5-bromanyl-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O4S/c1-4-6-12-30-20-9-7-16(13-21(20)28-3)15-25-23(31)26-22(27)18-14-17(24)8-10-19(18)29-11-5-2/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H2,25,26,27,31)