3-bromanyl-4-(3-methylbutoxy)-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C25H26BrN3O3S MolecularWeight: 528.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C25H26BrN3O3S/c1-16(2)12-13-32-22-11-10-19(14-21(22)26)24(31)27-25(33)29-28-23(30)15-18-8-5-7-17-6-3-4-9-20(17)18/h3-11,14,16H,12-13,15H2,1-2H3,(H,28,30)(H2,27,29,31,33)