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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]benzamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

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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)OCCCC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H31BrN2O4S/c1-4-6-12-30-20-11-9-18(15-19(20)25)23(28)27-24(32)26-16-17-8-10-21(22(14-17)29-3)31-13-7-5-2/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H2,26,27,28,32)