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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C26H28BrN3O4S/c1-16(2)12-13-33-23-11-9-20(15-22(23)27)25(32)28-26(35)30-29-24(31)17(3)34-21-10-8-18-6-4-5-7-19(18)14-21/h4-11,14-17H,12-13H2,1-3H3,(H,29,31)(H2,28,30,32,35)