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

Systemtic Name: 5-bromanyl-2-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(4-isopropoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(4-isopropoxybenzyl)thiocarbamoyl]benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-4-5-12-27-20-11-8-17(23)13-19(20)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)