5-bromanyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H22BrN3O3S/c1-2-12-30-20-11-10-17(24)14-19(20)22(29)25-23(31)27-26-21(28)13-16-8-5-7-15-6-3-4-9-18(15)16/h3-11,14H,2,12-13H2,1H3,(H,26,28)(H2,25,27,29,31)