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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C27H30BrN3O4S MolecularWeight: 572.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C27H30BrN3O4S/c1-3-4-5-8-15-34-24-14-12-21(17-23(24)28)26(33)29-27(36)31-30-25(32)18(2)35-22-13-11-19-9-6-7-10-20(19)16-22/h6-7,9-14,16-18H,3-5,8,15H2,1-2H3,(H,30,32)(H2,29,31,33,36)