3-bromanyl-4-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-isopropoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-isopropoxybenzyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC(C)C)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-4-5-12-27-20-11-8-17(13-19(20)23)21(26)25-22(29)24-14-16-6-9-18(10-7-16)28-15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,24,25,26,29)